N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C20H22N2O4S — CID 2711494

IUPACN-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O4S/c1-15(23)16-7-5-9-18(13-16)21-20(24)17-8-6-10-19(14-17)27(25,26)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyWYXCLIPCJUEOOC-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.32
Rot. Bonds5

About N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2711494) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2711494
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O4S/c1-15(23)16-7-5-9-18(13-16)21-20(24)17-8-6-10-19(14-17)27(25,26)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyWYXCLIPCJUEOOC-UHFFFAOYSA-N
XLogP3.32
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 2711494) is N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide is CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WYXCLIPCJUEOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(23)16-7-5-9-18(13-16)21-20(24)17-8-6-10-19(14-17)27(25,26)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2711494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).