N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 55918493

IUPACN-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-13-17(2)15-18(14-16)22(3)21(24)19-9-5-6-10-20(19)27(25,26)23-11-7-4-8-12-23/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3
InChIKeyXVIADKUHHAOLOI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.75
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide

N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55918493) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55918493
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-13-17(2)15-18(14-16)22(3)21(24)19-9-5-6-10-20(19)27(25,26)23-11-7-4-8-12-23/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3
InChIKeyXVIADKUHHAOLOI-UHFFFAOYSA-N
XLogP3.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
CID 26904308
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55549584
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55336076
N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
CID 78795855
2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55332785
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78796030
4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 26904305

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide (CID 55918493) is N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XVIADKUHHAOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-13-17(2)15-18(14-16)22(3)21(24)19-9-5-6-10-20(19)27(25,26)23-11-7-4-8-12-23/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55918493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).