2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C20H24N2O3S — CID 56921836

IUPAC2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H24N2O3S/c1-14-6-7-15(2)18(12-14)20(23)21-17-9-8-16(3)19(13-17)26(24,25)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyTUSIWJIJWFXQBH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds4

About 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide

2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 56921836) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID56921836
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H24N2O3S/c1-14-6-7-15(2)18(12-14)20(23)21-17-9-8-16(3)19(13-17)26(24,25)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyTUSIWJIJWFXQBH-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

5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 118984816
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-chloro-2-nitrobenzamide
CID 26774161
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 56921836) is 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is TUSIWJIJWFXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-6-7-15(2)18(12-14)20(23)21-17-9-8-16(3)19(13-17)26(24,25)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide 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 2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 56921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).