N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide

C17H24N2O3S — CID 3934723

IUPACN-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-7-2-3-8-14)18-15-9-6-10-16(13-15)23(21,22)19-11-4-1-5-12-19/h6,9-10,13-14H,1-5,7-8,11-12H2,(H,18,20)
InChIKeyVATJKKKGKKBWMQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.99
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide

N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide (PubChem CID 3934723) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
PubChem CID3934723
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-7-2-3-8-14)18-15-9-6-10-16(13-15)23(21,22)19-11-4-1-5-12-19/h6,9-10,13-14H,1-5,7-8,11-12H2,(H,18,20)
InChIKeyVATJKKKGKKBWMQ-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
4-(Valproylamido)Benzenesulfonamide
CID 10266719
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
bicyclo[2.2.1]hept-5-en-2-yl-N-{4-[(dimethylamino)sulfonyl]phenyl}carboxamide
CID 3485855
3,3-dimethyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]butanamide
CID 697580
3-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]butanamide
CID 697595
N-(4-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
CID 833152
N-[4-(piperidin-1-ylsulfonyl)phenyl]cyclohexanecarboxamide
CID 1013273
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 3151640
2-(3-Methyl-piperidin-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3178246
4-cyclohexyl-N-(3-sulfamoylphenyl)butanamide
CID 3919954

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide (CID 3934723) is N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCC1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide?
The InChIKey is VATJKKKGKKBWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(14-7-2-3-8-14)18-15-9-6-10-16(13-15)23(21,22)19-11-4-1-5-12-19/h6,9-10,13-14H,1-5,7-8,11-12H2,(H,18,20).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide?
N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 3934723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).