2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide

C29H34ClN3O4S — CID 133149182

IUPAC2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C29H34ClN3O4S/c1-3-32-38(36,37)27-16-11-24(12-17-27)13-18-28(34)33(21-25-9-14-26(30)15-10-25)22(2)29(35)31-20-19-23-7-5-4-6-8-23/h4-12,14-17,22,32H,3,13,18-21H2,1-2H3,(H,31,35)
InChIKeyWUQISQUZUMASOR-UHFFFAOYSA-N
MW556.13 g/mol
LogP4.35
Rot. Bonds13

About 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide

2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide (PubChem CID 133149182) has the molecular formula C29H34ClN3O4S and a molecular weight of 556.13 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
PubChem CID133149182
Molecular FormulaC29H34ClN3O4S
Molecular Weight556.13 g/mol
Exact Mass555.20
IUPAC Name2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C29H34ClN3O4S/c1-3-32-38(36,37)27-16-11-24(12-17-27)13-18-28(34)33(21-25-9-14-26(30)15-10-25)22(2)29(35)31-20-19-23-7-5-4-6-8-23/h4-12,14-17,22,32H,3,13,18-21H2,1-2H3,(H,31,35)
InChIKeyWUQISQUZUMASOR-UHFFFAOYSA-N
XLogP4.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.13
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
CID 133237376
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-methylbutyl)propanamide
CID 133149196
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-ethoxypropyl)propanamide
CID 133149191
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
CID 133148681
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 133149662
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-pentylpropanamide
CID 133149701
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133149679
N-benzyl-2-[(4-chlorophenyl)methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanamide
CID 133149209
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237390
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 133149680
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213817

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide (CID 133149182) is 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide?
The InChIKey is WUQISQUZUMASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN3O4S/c1-3-32-38(36,37)27-16-11-24(12-17-27)13-18-28(34)33(21-25-9-14-26(30)15-10-25)22(2)29(35)31-20-19-23-7-5-4-6-8-23/h4-12,14-17,22,32H,3,13,18-21H2,1-2H3,(H,31,35).
What are the key properties of 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide?
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide has a molecular weight of 556.13 g/mol, XLogP of 4.35, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 133149182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).