N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide

C183H205N25O33 — CID 158232002

IUPACN-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCC3=C(C)N=CC3)cc2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCC3=C(C)N=CC3)cn2)o1)C(C)C.COCC(C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1)C1CCCCC1.COC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CCCCC1
InChIInChI=1S/C32H35N3O6.C30H36N4O5.C26H29N3O5.C25H29N3O5.C24H24N4O4.C24H26N4O4.C22H26N4O4/c1-20(19-39-2)33-32(38)29(22-8-4-3-5-9-22)35-30(36)27-17-16-26(40-27)21-12-14-24(15-13-21)34-31(37)28-18-23-10-6-7-11-25(23)41-28;1-19-8-7-11-24(31-19)28(35)33-23-14-12-21(13-15-23)25-16-17-26(39-25)29(36)34-27(22-9-5-4-6-10-22)30(37)32-20(2)18-38-3;1-16-8-13-21(33-16)24(30)28-19-11-9-17(10-12-19)20-14-15-22(34-20)25(31)29-23(26(32)27-2)18-6-4-3-5-7-18;1-16-19(9-12-27-16)15-32-20-5-3-17(4-6-20)21-7-8-22(33-21)24(29)28-23(25(30)26-2)18-10-13-31-14-11-18;1-14-4-3-5-18(26-14)22(29)27-17-10-8-15(9-11-17)19-12-13-20(32-19)23(30)28-21(16-6-7-16)24(31)25-2;1-14(2)21(24(31)25-4)28-23(30)20-13-12-19(32-20)16-8-10-17(11-9-16)27-22(29)18-7-5-6-15(3)26-18;1-13(2)20(22(28)23-4)26-21(27)19-8-7-18(30-19)17-6-5-16(11-25-17)29-12-15-9-10-24-14(15)3/h6-7,10-18,20,22,29H,3-5,8-9,19H2,1-2H3,(H,33,38)(H,34,37)(H,35,36);7-8,11-17,20,22,27H,4-6,9-10,18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36);8-15,18,23H,3-7H2,1-2H3,(H,27,32)(H,28,30)(H,29,31);3-8,12,18,23H,9-11,13-15H2,1-2H3,(H,26,30)(H,28,29);3-5,8-13,16,21H,6-7H2,1-2H3,(H,25,31)(H,27,29)(H,28,30);5-14,21H,1-4H3,(H,25,31)(H,27,29)(H,28,30);5-8,10-11,13,20H,9,12H2,1-4H3,(H,23,28)(H,26,27)/t20?,29-;20-,27-;2*23-;2*21-;20-/m0000000/s1
InChIKeyGEMKQNRYGNYCNM-HVVJAJPYSA-N
MW3282.79 g/mol
LogP27.91
Rot. Bonds57

About N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide

N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 158232002) has the molecular formula C183H205N25O33 and a molecular weight of 3282.79 g/mol. Its IUPAC name is N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID158232002
Molecular FormulaC183H205N25O33
Molecular Weight3282.79 g/mol
Exact Mass3280.51
IUPAC NameN-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCC3=C(C)N=CC3)cc2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCC3=C(C)N=CC3)cn2)o1)C(C)C.COCC(C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1)C1CCCCC1.COC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CCCCC1
InChIInChI=1S/C32H35N3O6.C30H36N4O5.C26H29N3O5.C25H29N3O5.C24H24N4O4.C24H26N4O4.C22H26N4O4/c1-20(19-39-2)33-32(38)29(22-8-4-3-5-9-22)35-30(36)27-17-16-26(40-27)21-12-14-24(15-13-21)34-31(37)28-18-23-10-6-7-11-25(23)41-28;1-19-8-7-11-24(31-19)28(35)33-23-14-12-21(13-15-23)25-16-17-26(39-25)29(36)34-27(22-9-5-4-6-10-22)30(37)32-20(2)18-38-3;1-16-8-13-21(33-16)24(30)28-19-11-9-17(10-12-19)20-14-15-22(34-20)25(31)29-23(26(32)27-2)18-6-4-3-5-7-18;1-16-19(9-12-27-16)15-32-20-5-3-17(4-6-20)21-7-8-22(33-21)24(29)28-23(25(30)26-2)18-10-13-31-14-11-18;1-14-4-3-5-18(26-14)22(29)27-17-10-8-15(9-11-17)19-12-13-20(32-19)23(30)28-21(16-6-7-16)24(31)25-2;1-14(2)21(24(31)25-4)28-23(30)20-13-12-19(32-20)16-8-10-17(11-9-16)27-22(29)18-7-5-6-15(3)26-18;1-13(2)20(22(28)23-4)26-21(27)19-8-7-18(30-19)17-6-5-16(11-25-17)29-12-15-9-10-24-14(15)3/h6-7,10-18,20,22,29H,3-5,8-9,19H2,1-2H3,(H,33,38)(H,34,37)(H,35,36);7-8,11-17,20,22,27H,4-6,9-10,18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36);8-15,18,23H,3-7H2,1-2H3,(H,27,32)(H,28,30)(H,29,31);3-8,12,18,23H,9-11,13-15H2,1-2H3,(H,26,30)(H,28,29);3-5,8-13,16,21H,6-7H2,1-2H3,(H,25,31)(H,27,29)(H,28,30);5-14,21H,1-4H3,(H,25,31)(H,27,29)(H,28,30);5-8,10-11,13,20H,9,12H2,1-4H3,(H,23,28)(H,26,27)/t20?,29-;20-,27-;2*23-;2*21-;20-/m0000000/s1
InChIKeyGEMKQNRYGNYCNM-HVVJAJPYSA-N
XLogP27.91
TPSA793.59 Ų
H-Bond Donors19
H-Bond Acceptors39
Rotatable Bonds57
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003282.79
LogP ≤ 527.91
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1039

Analyze N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide (CID 158232002) is N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCC3=C(C)N=CC3)cc2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCC3=C(C)N=CC3)cn2)o1)C(C)C.COCC(C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1)C1CCCCC1.COC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is GEMKQNRYGNYCNM-HVVJAJPYSA-N. The full InChI is InChI=1S/C32H35N3O6.C30H36N4O5.C26H29N3O5.C25H29N3O5.C24H24N4O4.C24H26N4O4.C22H26N4O4/c1-20(19-39-2)33-32(38)29(22-8-4-3-5-9-22)35-30(36)27-17-16-26(40-27)21-12-14-24(15-13-21)34-31(37)28-18-23-10-6-7-11-25(23)41-28;1-19-8-7-11-24(31-19)28(35)33-23-14-12-21(13-15-23)25-16-17-26(39-25)29(36)34-27(22-9-5-4-6-10-22)30(37)32-20(2)18-38-3;1-16-8-13-21(33-16)24(30)28-19-11-9-17(10-12-19)20-14-15-22(34-20)25(31)29-23(26(32)27-2)18-6-4-3-5-7-18;1-16-19(9-12-27-16)15-32-20-5-3-17(4-6-20)21-7-8-22(33-21)24(29)28-23(25(30)26-2)18-10-13-31-14-11-18;1-14-4-3-5-18(26-14)22(29)27-17-10-8-15(9-11-17)19-12-13-20(32-19)23(30)28-21(16-6-7-16)24(31)25-2;1-14(2)21(24(31)25-4)28-23(30)20-13-12-19(32-20)16-8-10-17(11-9-16)27-22(29)18-7-5-6-15(3)26-18;1-13(2)20(22(28)23-4)26-21(27)19-8-7-18(30-19)17-6-5-16(11-25-17)29-12-15-9-10-24-14(15)3/h6-7,10-18,20,22,29H,3-5,8-9,19H2,1-2H3,(H,33,38)(H,34,37)(H,35,36);7-8,11-17,20,22,27H,4-6,9-10,18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36);8-15,18,23H,3-7H2,1-2H3,(H,27,32)(H,28,30)(H,29,31);3-8,12,18,23H,9-11,13-15H2,1-2H3,(H,26,30)(H,28,29);3-5,8-13,16,21H,6-7H2,1-2H3,(H,25,31)(H,27,29)(H,28,30);5-14,21H,1-4H3,(H,25,31)(H,27,29)(H,28,30);5-8,10-11,13,20H,9,12H2,1-4H3,(H,23,28)(H,26,27)/t20?,29-;20-,27-;2*23-;2*21-;20-/m0000000/s1.
What are the key properties of N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide?
N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 3282.79 g/mol, XLogP of 27.91, 57 rotatable bonds, 19 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 158232002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).