1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

C19H28N2O4S — CID 27556617

IUPAC1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14(2)8-11-20-19(23)17-9-12-21(13-10-17)26(24,25)18-6-4-16(5-7-18)15(3)22/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
InChIKeyGVTJHHYRWZJBEP-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.45
Rot. Bonds7

About 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 27556617) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID27556617
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14(2)8-11-20-19(23)17-9-12-21(13-10-17)26(24,25)18-6-4-16(5-7-18)15(3)22/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
InChIKeyGVTJHHYRWZJBEP-UHFFFAOYSA-N
XLogP2.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594195
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
N-[(2R)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92506922
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16548044

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (CID 27556617) is 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is GVTJHHYRWZJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14(2)8-11-20-19(23)17-9-12-21(13-10-17)26(24,25)18-6-4-16(5-7-18)15(3)22/h4-7,14,17H,8-13H2,1-3H3,(H,20,23).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 27556617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).