2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide

C26H25ClN2O4S — CID 159529468

IUPAC2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Cc1ccc(C2CCC(=O)C2)cc1
InChIInChI=1S/C26H25ClN2O4S/c27-24-4-2-1-3-20(24)15-26(31)29-22-11-9-21(25(16-22)34(28,32)33)13-17-5-7-18(8-6-17)19-10-12-23(30)14-19/h1-9,11,16,19H,10,12-15H2,(H,29,31)(H2,28,32,33)
InChIKeyMCUPRNVITBCMRX-UHFFFAOYSA-N
MW497.02 g/mol
LogP4.60
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide (PubChem CID 159529468) has the molecular formula C26H25ClN2O4S and a molecular weight of 497.02 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide
PubChem CID159529468
Molecular FormulaC26H25ClN2O4S
Molecular Weight497.02 g/mol
Exact Mass496.12
IUPAC Name2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Cc1ccc(C2CCC(=O)C2)cc1
InChIInChI=1S/C26H25ClN2O4S/c27-24-4-2-1-3-20(24)15-26(31)29-22-11-9-21(25(16-22)34(28,32)33)13-17-5-7-18(8-6-17)19-10-12-23(30)14-19/h1-9,11,16,19H,10,12-15H2,(H,29,31)(H2,28,32,33)
InChIKeyMCUPRNVITBCMRX-UHFFFAOYSA-N
XLogP4.60
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.02
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
CID 134588175
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]acetamide
CID 39280584

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide (CID 159529468) is 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Cc1ccc(C2CCC(=O)C2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide?
The InChIKey is MCUPRNVITBCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4S/c27-24-4-2-1-3-20(24)15-26(31)29-22-11-9-21(25(16-22)34(28,32)33)13-17-5-7-18(8-6-17)19-10-12-23(30)14-19/h1-9,11,16,19H,10,12-15H2,(H,29,31)(H2,28,32,33).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide has a molecular weight of 497.02 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 159529468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).