N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide

C20H24N2O3S — CID 169370677

IUPACN-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCC3)c2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-14-10-12-17(13-11-14)26(24,25)22-19-9-5-8-18(15(19)2)21-20(23)16-6-3-4-7-16/h5,8-13,16,22H,3-4,6-7H2,1-2H3,(H,21,23)
InChIKeyXMOIHPMSBUEBEH-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.23
Rot. Bonds5

About N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide

N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide (PubChem CID 169370677) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
PubChem CID169370677
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCC3)c2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-14-10-12-17(13-11-14)26(24,25)22-19-9-5-8-18(15(19)2)21-20(23)16-6-3-4-7-16/h5,8-13,16,22H,3-4,6-7H2,1-2H3,(H,21,23)
InChIKeyXMOIHPMSBUEBEH-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370537
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide (CID 169370677) is N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCC3)c2C)cc1.
What is the InChIKey of N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide?
The InChIKey is XMOIHPMSBUEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-10-12-17(13-11-14)26(24,25)22-19-9-5-8-18(15(19)2)21-20(23)16-6-3-4-7-16/h5,8-13,16,22H,3-4,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide?
N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 169370677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).