3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

C21H26N2O3S — CID 24635475

IUPAC3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-11-16(2)13-18(12-15)21(24)22-19-8-7-17(3)20(14-19)27(25,26)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyIFEVXCKJSWDRRE-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.04
Rot. Bonds4

About 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 24635475) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID24635475
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-11-16(2)13-18(12-15)21(24)22-19-8-7-17(3)20(14-19)27(25,26)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyIFEVXCKJSWDRRE-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 71904754
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 24635475) is 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IFEVXCKJSWDRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-11-16(2)13-18(12-15)21(24)22-19-8-7-17(3)20(14-19)27(25,26)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 24635475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).