N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide

C14H20N2O3S — CID 56921673

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
SMILESCN(c1cccc(NC(=O)C2CCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-16(20(2,18)19)13-9-5-8-12(10-13)15-14(17)11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyQEOWWPWJPGKCRV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds4

About N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide (PubChem CID 56921673) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
PubChem CID56921673
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
SMILESCN(c1cccc(NC(=O)C2CCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-16(20(2,18)19)13-9-5-8-12(10-13)15-14(17)11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyQEOWWPWJPGKCRV-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43916583
(3S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125077648
1-(4-fluorophenyl)sulfonyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 133168204
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide
CID 46762919
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
N-[3-[cyclohexyl(cyclopentanecarbonyl)amino]phenyl]cyclopentanecarboxamide
CID 141094117
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide (CID 56921673) is N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide is CN(c1cccc(NC(=O)C2CCCC2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide?
The InChIKey is QEOWWPWJPGKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-16(20(2,18)19)13-9-5-8-12(10-13)15-14(17)11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 56921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).