N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H22N2O4S — CID 47052070

IUPACN-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CC(=O)N(C(C)C)C2)c(C)c1
InChIInChI=1S/C16H22N2O4S/c1-10(2)18-9-13(8-15(18)19)16(20)17-23(21,22)14-6-5-11(3)7-12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyVYWYLBQECAOGIL-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.37
Rot. Bonds4

About N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 47052070) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID47052070
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CC(=O)N(C(C)C)C2)c(C)c1
InChIInChI=1S/C16H22N2O4S/c1-10(2)18-9-13(8-15(18)19)16(20)17-23(21,22)14-6-5-11(3)7-12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyVYWYLBQECAOGIL-UHFFFAOYSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 47052058
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108560662
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55607249
(2R)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369656
N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572384
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 166332182
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 47052070) is N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)C2CC(=O)N(C(C)C)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VYWYLBQECAOGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-10(2)18-9-13(8-15(18)19)16(20)17-23(21,22)14-6-5-11(3)7-12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 47052070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).