3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide

C22H28N2O5S2 — CID 55789622

IUPAC3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc2C)c1
InChIInChI=1S/C22H28N2O5S2/c1-16-6-5-7-19(14-16)24-31(28,29)21-15-18(11-10-17(21)2)23-22(25)12-13-30(26,27)20-8-3-4-9-20/h5-7,10-11,14-15,20,24H,3-4,8-9,12-13H2,1-2H3,(H,23,25)
InChIKeyKGCFQKQNATXSHK-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.79
Rot. Bonds8

About 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide

3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 55789622) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID55789622
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc2C)c1
InChIInChI=1S/C22H28N2O5S2/c1-16-6-5-7-19(14-16)24-31(28,29)21-15-18(11-10-17(21)2)23-22(25)12-13-30(26,27)20-8-3-4-9-20/h5-7,10-11,14-15,20,24H,3-4,8-9,12-13H2,1-2H3,(H,23,25)
InChIKeyKGCFQKQNATXSHK-UHFFFAOYSA-N
XLogP3.79
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 55864853
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 39908102
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 25390793
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide (CID 55789622) is 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc2C)c1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is KGCFQKQNATXSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-16-6-5-7-19(14-16)24-31(28,29)21-15-18(11-10-17(21)2)23-22(25)12-13-30(26,27)20-8-3-4-9-20/h5-7,10-11,14-15,20,24H,3-4,8-9,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 55789622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).