(2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide

C133H141ClF3N15O26S5 — CID 157369921

IUPAC(2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide
SMILESCC(C)C1CC1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCO2.COc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C29H31N3O5S.C27H26F3N3O5S.C26H26ClN3O5S.C26H27N3O6S.C25H31N3O5S/c1-32(24-12-13-26-23(19-24)14-17-37-26)27(33)25(18-21-8-4-2-5-9-21)30-28(34)31-38(35,36)29(15-16-29)20-22-10-6-3-7-11-22;1-33(22-11-12-24-20(16-22)13-14-38-24)25(34)23(15-18-5-3-2-4-6-18)31-26(35)32-39(36,37)17-19-7-9-21(10-8-19)27(28,29)30;1-30(22-11-12-24-20(16-22)13-14-35-24)25(31)23(15-18-5-3-2-4-6-18)28-26(32)29-36(33,34)17-19-7-9-21(27)10-8-19;1-29(20-12-13-22-19(17-20)14-15-35-22)25(30)21(16-18-8-4-3-5-9-18)27-26(31)28-36(32,33)24-11-7-6-10-23(24)34-2;1-16(2)20-15-23(20)34(31,32)27-25(30)26-21(13-17-7-5-4-6-8-17)24(29)28(3)19-9-10-22-18(14-19)11-12-33-22/h2-13,19,25H,14-18,20H2,1H3,(H2,30,31,34);2-12,16,23H,13-15,17H2,1H3,(H2,31,32,35);2-12,16,23H,13-15,17H2,1H3,(H2,28,29,32);3-13,17,21H,14-16H2,1-2H3,(H2,27,28,31);4-10,14,16,20-21,23H,11-13,15H2,1-3H3,(H2,26,27,30)/t25-;2*23-;21-;20?,21-,23?/m00000/s1
InChIKeyBJQFMKLJOYDDTN-HTHBAMHPSA-N
MW2618.45 g/mol
LogP17.08
Rot. Bonds41

About (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide

(2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide (PubChem CID 157369921) has the molecular formula C133H141ClF3N15O26S5 and a molecular weight of 2618.45 g/mol. Its IUPAC name is (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide
PubChem CID157369921
Molecular FormulaC133H141ClF3N15O26S5
Molecular Weight2618.45 g/mol
Exact Mass2615.84
IUPAC Name(2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide
SMILESCC(C)C1CC1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCO2.COc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C29H31N3O5S.C27H26F3N3O5S.C26H26ClN3O5S.C26H27N3O6S.C25H31N3O5S/c1-32(24-12-13-26-23(19-24)14-17-37-26)27(33)25(18-21-8-4-2-5-9-21)30-28(34)31-38(35,36)29(15-16-29)20-22-10-6-3-7-11-22;1-33(22-11-12-24-20(16-22)13-14-38-24)25(34)23(15-18-5-3-2-4-6-18)31-26(35)32-39(36,37)17-19-7-9-21(10-8-19)27(28,29)30;1-30(22-11-12-24-20(16-22)13-14-35-24)25(31)23(15-18-5-3-2-4-6-18)28-26(32)29-36(33,34)17-19-7-9-21(27)10-8-19;1-29(20-12-13-22-19(17-20)14-15-35-22)25(30)21(16-18-8-4-3-5-9-18)27-26(31)28-36(32,33)24-11-7-6-10-23(24)34-2;1-16(2)20-15-23(20)34(31,32)27-25(30)26-21(13-17-7-5-4-6-8-17)24(29)28(3)19-9-10-22-18(14-19)11-12-33-22/h2-13,19,25H,14-18,20H2,1H3,(H2,30,31,34);2-12,16,23H,13-15,17H2,1H3,(H2,31,32,35);2-12,16,23H,13-15,17H2,1H3,(H2,28,29,32);3-13,17,21H,14-16H2,1-2H3,(H2,27,28,31);4-10,14,16,20-21,23H,11-13,15H2,1-3H3,(H2,26,27,30)/t25-;2*23-;21-;20?,21-,23?/m00000/s1
InChIKeyBJQFMKLJOYDDTN-HTHBAMHPSA-N
XLogP17.08
TPSA533.28 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002618.45
LogP ≤ 517.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide with MolForge

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 118047697
(2S)-2-[(2,6-dichlorophenyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide
CID 122523363
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(6-fluoro-3-pyridinyl)phenyl]sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 122523392
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110
methyl 2-[[(2S)-1-[1,3-benzodioxol-5-yl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoylsulfamoyl]benzoate
CID 118037964
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 122510020
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 158387683
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dichlorophenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 122510005
2-[(2-chlorophenyl)sulfonylcarbamoylamino]-N-(3,4-dihydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 123978616
2-(benzenesulfonylcarbamoylamino)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 122510040
(2S)-N-(1,3-benzodioxol-5-yl)-2-(tert-butylsulfonylcarbamoylamino)-N-methyl-3-phenylpropanamide
CID 118047726

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide?
The IUPAC name of (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide (CID 157369921) is (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide.
What is the SMILES notation for (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide?
The canonical SMILES for (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide is CC(C)C1CC1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCO2.COc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2c(c1)CCO2.
What is the InChIKey of (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide?
The InChIKey is BJQFMKLJOYDDTN-HTHBAMHPSA-N. The full InChI is InChI=1S/C29H31N3O5S.C27H26F3N3O5S.C26H26ClN3O5S.C26H27N3O6S.C25H31N3O5S/c1-32(24-12-13-26-23(19-24)14-17-37-26)27(33)25(18-21-8-4-2-5-9-21)30-28(34)31-38(35,36)29(15-16-29)20-22-10-6-3-7-11-22;1-33(22-11-12-24-20(16-22)13-14-38-24)25(34)23(15-18-5-3-2-4-6-18)31-26(35)32-39(36,37)17-19-7-9-21(10-8-19)27(28,29)30;1-30(22-11-12-24-20(16-22)13-14-35-24)25(31)23(15-18-5-3-2-4-6-18)28-26(32)29-36(33,34)17-19-7-9-21(27)10-8-19;1-29(20-12-13-22-19(17-20)14-15-35-22)25(30)21(16-18-8-4-3-5-9-18)27-26(31)28-36(32,33)24-11-7-6-10-23(24)34-2;1-16(2)20-15-23(20)34(31,32)27-25(30)26-21(13-17-7-5-4-6-8-17)24(29)28(3)19-9-10-22-18(14-19)11-12-33-22/h2-13,19,25H,14-18,20H2,1H3,(H2,30,31,34);2-12,16,23H,13-15,17H2,1H3,(H2,31,32,35);2-12,16,23H,13-15,17H2,1H3,(H2,28,29,32);3-13,17,21H,14-16H2,1-2H3,(H2,27,28,31);4-10,14,16,20-21,23H,11-13,15H2,1-3H3,(H2,26,27,30)/t25-;2*23-;21-;20?,21-,23?/m00000/s1.
What are the key properties of (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide?
(2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide has a molecular weight of 2618.45 g/mol, XLogP of 17.08, 41 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-benzylcyclopropyl)sulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-2-[(4-chlorophenyl)methylsulfonylcarbamoylamino]-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[(2-propan-2-ylcyclopropyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoylamino]propanamide is sourced from PubChem (CID 157369921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).