1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide

C18H27N3O4S — CID 113002804

IUPAC1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-13(2)12-19-18(23)15-8-10-21(11-9-15)26(24,25)17-6-4-16(5-7-17)20-14(3)22/h4-7,13,15H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWZOAFHMVOBJIRK-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.82
Rot. Bonds6

About 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide

1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 113002804) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID113002804
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-13(2)12-19-18(23)15-8-10-21(11-9-15)26(24,25)17-6-4-16(5-7-17)20-14(3)22/h4-7,13,15H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWZOAFHMVOBJIRK-UHFFFAOYSA-N
XLogP1.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
1-(4-propan-2-ylphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 40628999
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide (CID 113002804) is 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is WZOAFHMVOBJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-13(2)12-19-18(23)15-8-10-21(11-9-15)26(24,25)17-6-4-16(5-7-17)20-14(3)22/h4-7,13,15H,8-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.82, 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-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).