N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide

C168H191F3N28O24S — CID 158772638

IUPACN-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C)c(C)s3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C)n(C)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4c(C)cccc4n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4ccc(C)cc4n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3nccn3C)c2)o1)C1CCCCC1
InChIInChI=1S/2C30H33N5O4.C28H33N3O4S.C27H28F3N5O4.C27H33N5O4.C26H31N5O4/c1-19-8-6-13-26-33-23(18-35(19)26)28(36)32-17-20-9-7-12-22(16-20)24-14-15-25(39-24)29(37)34-27(30(38)31-2)21-10-4-3-5-11-21;1-19-13-14-35-18-23(33-26(35)15-19)28(36)32-17-20-7-6-10-22(16-20)24-11-12-25(39-24)29(37)34-27(30(38)31-2)21-8-4-3-5-9-21;1-17-14-24(36-18(17)2)27(33)30-16-19-8-7-11-21(15-19)22-12-13-23(35-22)26(32)31-25(28(34)29-3)20-9-5-4-6-10-20;1-31-25(38)22(17-7-3-2-4-8-17)35-24(37)21-11-10-20(39-21)18-9-5-6-16(14-18)15-33-23(36)19-12-13-32-26(34-19)27(28,29)30;1-17-14-21(31-32(17)3)25(33)29-16-18-8-7-11-20(15-18)22-12-13-23(36-22)26(34)30-24(27(35)28-2)19-9-5-4-6-10-19;1-27-25(33)22(18-8-4-3-5-9-18)30-24(32)21-12-11-20(35-21)19-10-6-7-17(15-19)16-29-26(34)23-28-13-14-31(23)2/h6-9,12-16,18,21,27H,3-5,10-11,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37);6-7,10-16,18,21,27H,3-5,8-9,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37);7-8,11-15,20,25H,4-6,9-10,16H2,1-3H3,(H,29,34)(H,30,33)(H,31,32);5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,31,38)(H,33,36)(H,35,37);7-8,11-15,19,24H,4-6,9-10,16H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);6-7,10-15,18,22H,3-5,8-9,16H2,1-2H3,(H,27,33)(H,29,34)(H,30,32)/t2*27-;25-;22-;24-;22-/m000000/s1
InChIKeyIQBJMSAVMVUGFF-RMHHKPQISA-N
MW3075.61 g/mol
LogP23.98
Rot. Bonds48

About N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide

N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 158772638) has the molecular formula C168H191F3N28O24S and a molecular weight of 3075.61 g/mol. Its IUPAC name is N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID158772638
Molecular FormulaC168H191F3N28O24S
Molecular Weight3075.61 g/mol
Exact Mass3073.43
IUPAC NameN-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C)c(C)s3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C)n(C)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4c(C)cccc4n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4ccc(C)cc4n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3nccn3C)c2)o1)C1CCCCC1
InChIInChI=1S/2C30H33N5O4.C28H33N3O4S.C27H28F3N5O4.C27H33N5O4.C26H31N5O4/c1-19-8-6-13-26-33-23(18-35(19)26)28(36)32-17-20-9-7-12-22(16-20)24-14-15-25(39-24)29(37)34-27(30(38)31-2)21-10-4-3-5-11-21;1-19-13-14-35-18-23(33-26(35)15-19)28(36)32-17-20-7-6-10-22(16-20)24-11-12-25(39-24)29(37)34-27(30(38)31-2)21-8-4-3-5-9-21;1-17-14-24(36-18(17)2)27(33)30-16-19-8-7-11-21(15-19)22-12-13-23(35-22)26(32)31-25(28(34)29-3)20-9-5-4-6-10-20;1-31-25(38)22(17-7-3-2-4-8-17)35-24(37)21-11-10-20(39-21)18-9-5-6-16(14-18)15-33-23(36)19-12-13-32-26(34-19)27(28,29)30;1-17-14-21(31-32(17)3)25(33)29-16-18-8-7-11-20(15-18)22-12-13-23(36-22)26(34)30-24(27(35)28-2)19-9-5-4-6-10-19;1-27-25(33)22(18-8-4-3-5-9-18)30-24(32)21-12-11-20(35-21)19-10-6-7-17(15-19)16-29-26(34)23-28-13-14-31(23)2/h6-9,12-16,18,21,27H,3-5,10-11,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37);6-7,10-16,18,21,27H,3-5,8-9,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37);7-8,11-15,20,25H,4-6,9-10,16H2,1-3H3,(H,29,34)(H,30,33)(H,31,32);5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,31,38)(H,33,36)(H,35,37);7-8,11-15,19,24H,4-6,9-10,16H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);6-7,10-15,18,22H,3-5,8-9,16H2,1-2H3,(H,27,33)(H,29,34)(H,30,32)/t2*27-;25-;22-;24-;22-/m000000/s1
InChIKeyIQBJMSAVMVUGFF-RMHHKPQISA-N
XLogP23.98
TPSA698.66 Ų
H-Bond Donors18
H-Bond Acceptors35
Rotatable Bonds48
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003075.61
LogP ≤ 523.98
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1035

Analyze N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide (CID 158772638) is N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C)c(C)s3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C)n(C)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4c(C)cccc4n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4ccc(C)cc4n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3nccn3C)c2)o1)C1CCCCC1.
What is the InChIKey of N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is IQBJMSAVMVUGFF-RMHHKPQISA-N. The full InChI is InChI=1S/2C30H33N5O4.C28H33N3O4S.C27H28F3N5O4.C27H33N5O4.C26H31N5O4/c1-19-8-6-13-26-33-23(18-35(19)26)28(36)32-17-20-9-7-12-22(16-20)24-14-15-25(39-24)29(37)34-27(30(38)31-2)21-10-4-3-5-11-21;1-19-13-14-35-18-23(33-26(35)15-19)28(36)32-17-20-7-6-10-22(16-20)24-11-12-25(39-24)29(37)34-27(30(38)31-2)21-8-4-3-5-9-21;1-17-14-24(36-18(17)2)27(33)30-16-19-8-7-11-21(15-19)22-12-13-23(35-22)26(32)31-25(28(34)29-3)20-9-5-4-6-10-20;1-31-25(38)22(17-7-3-2-4-8-17)35-24(37)21-11-10-20(39-21)18-9-5-6-16(14-18)15-33-23(36)19-12-13-32-26(34-19)27(28,29)30;1-17-14-21(31-32(17)3)25(33)29-16-18-8-7-11-20(15-18)22-12-13-23(36-22)26(34)30-24(27(35)28-2)19-9-5-4-6-10-19;1-27-25(33)22(18-8-4-3-5-9-18)30-24(32)21-12-11-20(35-21)19-10-6-7-17(15-19)16-29-26(34)23-28-13-14-31(23)2/h6-9,12-16,18,21,27H,3-5,10-11,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37);6-7,10-16,18,21,27H,3-5,8-9,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37);7-8,11-15,20,25H,4-6,9-10,16H2,1-3H3,(H,29,34)(H,30,33)(H,31,32);5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,31,38)(H,33,36)(H,35,37);7-8,11-15,19,24H,4-6,9-10,16H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);6-7,10-15,18,22H,3-5,8-9,16H2,1-2H3,(H,27,33)(H,29,34)(H,30,32)/t2*27-;25-;22-;24-;22-/m000000/s1.
What are the key properties of N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 3075.61 g/mol, XLogP of 23.98, 48 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 158772638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).