3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide

C22H28N2O3S — CID 26085937

IUPAC3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-15-12-16(2)21(17(3)13-15)23-22(25)19-9-7-10-20(14-19)28(26,27)24-11-6-5-8-18(24)4/h7,9-10,12-14,18H,5-6,8,11H2,1-4H3,(H,23,25)/t18-/m0/s1
InChIKeyOGCVFIYDWQSOJE-SFHVURJKSA-N
MW400.54 g/mol
LogP4.43
Rot. Bonds4

About 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide

3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 26085937) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID26085937
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-15-12-16(2)21(17(3)13-15)23-22(25)19-9-7-10-20(14-19)28(26,27)24-11-6-5-8-18(24)4/h7,9-10,12-14,18H,5-6,8,11H2,1-4H3,(H,23,25)/t18-/m0/s1
InChIKeyOGCVFIYDWQSOJE-SFHVURJKSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
ethyl 3-methyl-5-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 42905569
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide (CID 26085937) is 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c(C)c1.
What is the InChIKey of 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is OGCVFIYDWQSOJE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15-12-16(2)21(17(3)13-15)23-22(25)19-9-7-10-20(14-19)28(26,27)24-11-6-5-8-18(24)4/h7,9-10,12-14,18H,5-6,8,11H2,1-4H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 26085937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).