(2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

C25H26Cl2N4O5S — CID 134378589

IUPAC(2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CNS(=O)(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C25H26Cl2N4O5S/c1-31(18-11-13-19(36-2)14-12-18)25(33)22(15-17-7-4-3-5-8-17)29-23(32)16-28-37(34,35)30-21-10-6-9-20(26)24(21)27/h3-14,22,28,30H,15-16H2,1-2H3,(H,29,32)/t22-/m0/s1
InChIKeyVUEQYSTXKOTZMO-QFIPXVFZSA-N
MW565.48 g/mol
LogP3.64
Rot. Bonds11

About (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

(2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide (PubChem CID 134378589) has the molecular formula C25H26Cl2N4O5S and a molecular weight of 565.48 g/mol. Its IUPAC name is (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
PubChem CID134378589
Molecular FormulaC25H26Cl2N4O5S
Molecular Weight565.48 g/mol
Exact Mass564.10
IUPAC Name(2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CNS(=O)(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C25H26Cl2N4O5S/c1-31(18-11-13-19(36-2)14-12-18)25(33)22(15-17-7-4-3-5-8-17)29-23(32)16-28-37(34,35)30-21-10-6-9-20(26)24(21)27/h3-14,22,28,30H,15-16H2,1-2H3,(H,29,32)/t22-/m0/s1
InChIKeyVUEQYSTXKOTZMO-QFIPXVFZSA-N
XLogP3.64
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.48
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide with MolForge

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Related Compounds

N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308
(2S)-2-[3-[4-[3-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]piperazin-1-yl]propanoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122647587
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide
CID 122648220
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
(2S)-2-[[(3-chlorophenyl)-methylsulfinamoyl]carbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122648469
cis-(1R,3S)-1-N,3-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1,3-dicarboxamide
CID 122647183
(2S)-N-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648437
(E)-N,N'-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methylpent-2-enediamide
CID 122647392
N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
CID 134344790
(2S)-2-[(4-tert-butylphenyl)sulfamoylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122648148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide (CID 134378589) is (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide is COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CNS(=O)(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is VUEQYSTXKOTZMO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26Cl2N4O5S/c1-31(18-11-13-19(36-2)14-12-18)25(33)22(15-17-7-4-3-5-8-17)29-23(32)16-28-37(34,35)30-21-10-6-9-20(26)24(21)27/h3-14,22,28,30H,15-16H2,1-2H3,(H,29,32)/t22-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
(2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 565.48 g/mol, XLogP of 3.64, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2,3-dichlorophenyl)sulfamoylamino]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 134378589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).