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

C20H24N2O3S — CID 26696294

IUPACN-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-14-10-15(2)12-17(11-14)21-20(23)19-13-18(7-6-16(19)3)26(24,25)22-8-4-5-9-22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyIJMJGIFWCOKQMW-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26696294) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26696294
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-14-10-15(2)12-17(11-14)21-20(23)19-13-18(7-6-16(19)3)26(24,25)22-8-4-5-9-22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyIJMJGIFWCOKQMW-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
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-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26696294) is N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IJMJGIFWCOKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-10-15(2)12-17(11-14)21-20(23)19-13-18(7-6-16(19)3)26(24,25)22-8-4-5-9-22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.65, 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-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26696294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).