1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

C15H20N2O4S — CID 110387691

IUPAC1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4S/c1-11(2)10-16-15(19)13-8-9-14(18)17(13)22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)
InChIKeyVQHSSTGISSYKGM-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.14
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387691) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110387691
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4S/c1-11(2)10-16-15(19)13-8-9-14(18)17(13)22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)
InChIKeyVQHSSTGISSYKGM-UHFFFAOYSA-N
XLogP1.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
CID 92726400
3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 11349564
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 93059288
1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46351356
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95074323
1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 4767736
(2R)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2212556
2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 6987638

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 110387691) is 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VQHSSTGISSYKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(2)10-16-15(19)13-8-9-14(18)17(13)22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19).
What are the key properties of 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).