2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide

C21H24N2O4S — CID 55714655

IUPAC2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C21H24N2O4S/c1-14-9-10-16(28(3,26)27)13-17(14)20(24)22-18-8-6-7-15(2)19(18)21(25)23-11-4-5-12-23/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,24)
InChIKeyIUSBAWHNEZJQLG-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide

2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide (PubChem CID 55714655) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
PubChem CID55714655
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C21H24N2O4S/c1-14-9-10-16(28(3,26)27)13-17(14)20(24)22-18-8-6-7-15(2)19(18)21(25)23-11-4-5-12-23/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,24)
InChIKeyIUSBAWHNEZJQLG-UHFFFAOYSA-N
XLogP3.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
[4-[[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 55776473
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55894997
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide (CID 55714655) is 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(C)c1C(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide?
The InChIKey is IUSBAWHNEZJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-9-10-16(28(3,26)27)13-17(14)20(24)22-18-8-6-7-15(2)19(18)21(25)23-11-4-5-12-23/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide?
2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 55714655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).