1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide

C27H28N2O4S — CID 26735300

IUPAC1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H28N2O4S/c1-20(30)24-13-8-14-25(19-24)34(32,33)29-17-15-23(16-18-29)27(31)28-26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,23,26H,15-18H2,1H3,(H,28,31)
InChIKeyZNFDHMCGOOXUFQ-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.20
Rot. Bonds7

About 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide

1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide (PubChem CID 26735300) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
PubChem CID26735300
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H28N2O4S/c1-20(30)24-13-8-14-25(19-24)34(32,33)29-17-15-23(16-18-29)27(31)28-26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,23,26H,15-18H2,1H3,(H,28,31)
InChIKeyZNFDHMCGOOXUFQ-UHFFFAOYSA-N
XLogP4.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
1-(3-acetylphenyl)sulfonyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 112764001
1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 9482139
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
1-(3-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 46561024
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41041561
1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 9091183
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide (CID 26735300) is 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide?
The InChIKey is ZNFDHMCGOOXUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-20(30)24-13-8-14-25(19-24)34(32,33)29-17-15-23(16-18-29)27(31)28-26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,23,26H,15-18H2,1H3,(H,28,31).
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide is sourced from PubChem (CID 26735300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).