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

C21H26N2O3S — CID 29176549

IUPACN-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-11-16(2)13-18(12-15)22-21(24)20-14-19(8-7-17(20)3)27(25,26)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyRNWXLWCFZZDCHQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.04
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 29176549) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID29176549
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-11-16(2)13-18(12-15)22-21(24)20-14-19(8-7-17(20)3)27(25,26)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyRNWXLWCFZZDCHQ-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-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(1,3-benzodioxol-5-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8701185
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 29176549) is N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RNWXLWCFZZDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-11-16(2)13-18(12-15)22-21(24)20-14-19(8-7-17(20)3)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 N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide 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 N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 29176549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).