1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide

C21H31N3O4S — CID 58702055

IUPAC1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCCC3)C2)cc1
InChIInChI=1S/C21H31N3O4S/c1-16(25)23-19-9-11-20(12-10-19)29(27,28)24-13-5-8-18(15-24)21(26)22-14-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyPFERGMMFUQHOKQ-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide

1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide (PubChem CID 58702055) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
PubChem CID58702055
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCCC3)C2)cc1
InChIInChI=1S/C21H31N3O4S/c1-16(25)23-19-9-11-20(12-10-19)29(27,28)24-13-5-8-18(15-24)21(26)22-14-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyPFERGMMFUQHOKQ-UHFFFAOYSA-N
XLogP2.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
CID 58702063
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 41062254
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115
methyl N-[4-[(3R)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 6551868
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 2082059
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide (CID 58702055) is 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCCC3)C2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide?
The InChIKey is PFERGMMFUQHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-16(25)23-19-9-11-20(12-10-19)29(27,28)24-13-5-8-18(15-24)21(26)22-14-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide?
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 58702055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).