N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

C20H24N2O3S — CID 109065568

IUPACN-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-6-3-9-18(12-15)21-20(23)17-8-4-10-19(13-17)26(24,25)22-11-5-7-16(2)14-22/h3-4,6,8-10,12-13,16H,5,7,11,14H2,1-2H3,(H,21,23)
InChIKeyNNLWNGRQLNNXLU-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.67
Rot. Bonds4

About N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 109065568) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID109065568
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-6-3-9-18(12-15)21-20(23)17-8-4-10-19(13-17)26(24,25)22-11-5-7-16(2)14-22/h3-4,6,8-10,12-13,16H,5,7,11,14H2,1-2H3,(H,21,23)
InChIKeyNNLWNGRQLNNXLU-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17226865
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 109065568) is N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NNLWNGRQLNNXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-6-3-9-18(12-15)21-20(23)17-8-4-10-19(13-17)26(24,25)22-11-5-7-16(2)14-22/h3-4,6,8-10,12-13,16H,5,7,11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 109065568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).