N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

C21H24N2O4S — CID 9095769

IUPACN-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1
InChIInChI=1S/C21H24N2O4S/c1-15-6-3-4-13-23(15)28(26,27)20-11-9-17(10-12-20)21(25)22-19-8-5-7-18(14-19)16(2)24/h5,7-12,14-15H,3-4,6,13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyPXJXOFJGIJATLN-HNNXBMFYSA-N
MW400.50 g/mol
LogP3.70
Rot. Bonds5

About N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9095769) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9095769
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1
InChIInChI=1S/C21H24N2O4S/c1-15-6-3-4-13-23(15)28(26,27)20-11-9-17(10-12-20)21(25)22-19-8-5-7-18(14-19)16(2)24/h5,7-12,14-15H,3-4,6,13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyPXJXOFJGIJATLN-HNNXBMFYSA-N
XLogP3.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
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4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 9095769) is N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is PXJXOFJGIJATLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15-6-3-4-13-23(15)28(26,27)20-11-9-17(10-12-20)21(25)22-19-8-5-7-18(14-19)16(2)24/h5,7-12,14-15H,3-4,6,13H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9095769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).