N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C20H21ClN2O4S — CID 9322651

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c1-27-18-11-10-17(22-20(24)12-14-4-2-3-5-14)13-19(18)28(25,26)23-16-8-6-15(21)7-9-16/h2,4,6-11,13-14,23H,3,5,12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyYLLLPWWGHRXUHK-AWEZNQCLSA-N
MW420.92 g/mol
LogP4.44
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 9322651) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID9322651
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c1-27-18-11-10-17(22-20(24)12-14-4-2-3-5-14)13-19(18)28(25,26)23-16-8-6-15(21)7-9-16/h2,4,6-11,13-14,23H,3,5,12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyYLLLPWWGHRXUHK-AWEZNQCLSA-N
XLogP4.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 25374190
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 17491419
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 9322651) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is YLLLPWWGHRXUHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-27-18-11-10-17(22-20(24)12-14-4-2-3-5-14)13-19(18)28(25,26)23-16-8-6-15(21)7-9-16/h2,4,6-11,13-14,23H,3,5,12H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 420.92 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 9322651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).