N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

C20H29N3O4S — CID 58656229

IUPACN-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C20H29N3O4S/c1-15(24)21-17-9-11-19(12-10-17)28(26,27)23-13-5-8-18(14-23)22-20(25)16-6-3-2-4-7-16/h9-12,16,18H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyQXWLZUPBCIGEBY-SFHVURJKSA-N
MW407.54 g/mol
LogP2.49
Rot. Bonds5

About N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 58656229) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID58656229
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C20H29N3O4S/c1-15(24)21-17-9-11-19(12-10-17)28(26,27)23-13-5-8-18(14-23)22-20(25)16-6-3-2-4-7-16/h9-12,16,18H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyQXWLZUPBCIGEBY-SFHVURJKSA-N
XLogP2.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 2082059
(3S)-1-(4-acetamidophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 124771216
(3R)-1-(4-acetamidophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 124771217
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 58702055
N-[9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 644580
N-[(1S,5S)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110608
N-[(1R,5R)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110607
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 58656229) is N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C3CCCCC3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is QXWLZUPBCIGEBY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15(24)21-17-9-11-19(12-10-17)28(26,27)23-13-5-8-18(14-23)22-20(25)16-6-3-2-4-7-16/h9-12,16,18H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 58656229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).