N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C21H24N2O4S — CID 3319153

IUPACN-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15-6-7-18(14-20(15)28(26,27)23-12-4-3-5-13-23)21(25)22-19-10-8-17(9-11-19)16(2)24/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeyOHKCQZNUVNPWTC-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.62
Rot. Bonds5

About N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 3319153) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID3319153
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15-6-7-18(14-20(15)28(26,27)23-12-4-3-5-13-23)21(25)22-19-10-8-17(9-11-19)16(2)24/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeyOHKCQZNUVNPWTC-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
4-methyl-N-(4-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2876490
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 3319153) is N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OHKCQZNUVNPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15-6-7-18(14-20(15)28(26,27)23-12-4-3-5-13-23)21(25)22-19-10-8-17(9-11-19)16(2)24/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3319153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).