1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide

C24H30N2O5S — CID 55584183

IUPAC1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H30N2O5S/c1-30-22-15-14-18(17-23(22)31-19-9-5-6-10-19)25-24(27)21-13-7-8-16-26(21)32(28,29)20-11-3-2-4-12-20/h2-4,11-12,14-15,17,19,21H,5-10,13,16H2,1H3,(H,25,27)
InChIKeyUIMAZKHTPIVIPS-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.20
Rot. Bonds7

About 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 55584183) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
PubChem CID55584183
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H30N2O5S/c1-30-22-15-14-18(17-23(22)31-19-9-5-6-10-19)25-24(27)21-13-7-8-16-26(21)32(28,29)20-11-3-2-4-12-20/h2-4,11-12,14-15,17,19,21H,5-10,13,16H2,1H3,(H,25,27)
InChIKeyUIMAZKHTPIVIPS-UHFFFAOYSA-N
XLogP4.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
tert-butyl N-[5-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 55654774
1,4-bis(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 2864601
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803
(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
CID 29447944
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
CID 2526254
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide (CID 55584183) is 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide is COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is UIMAZKHTPIVIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-30-22-15-14-18(17-23(22)31-19-9-5-6-10-19)25-24(27)21-13-7-8-16-26(21)32(28,29)20-11-3-2-4-12-20/h2-4,11-12,14-15,17,19,21H,5-10,13,16H2,1H3,(H,25,27).
What are the key properties of 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 55584183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).