(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C18H27N3O4S — CID 52501367

IUPAC(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O
InChIInChI=1S/C18H27N3O4S/c1-12(2)17(21-10-6-7-16(21)22)18(23)19-15-11-14(9-8-13(15)3)26(24,25)20(4)5/h8-9,11-12,17H,6-7,10H2,1-5H3,(H,19,23)/t17-/m1/s1
InChIKeyXYLADIVDBQLGEN-QGZVFWFLSA-N
MW381.50 g/mol
LogP1.83
Rot. Bonds6

About (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 52501367) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID52501367
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O
InChIInChI=1S/C18H27N3O4S/c1-12(2)17(21-10-6-7-16(21)22)18(23)19-15-11-14(9-8-13(15)3)26(24,25)20(4)5/h8-9,11-12,17H,6-7,10H2,1-5H3,(H,19,23)/t17-/m1/s1
InChIKeyXYLADIVDBQLGEN-QGZVFWFLSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 47088877
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56518150
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2R)-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 31290211
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7859718
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 43036041

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 52501367) is (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O.
What is the InChIKey of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is XYLADIVDBQLGEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-12(2)17(21-10-6-7-16(21)22)18(23)19-15-11-14(9-8-13(15)3)26(24,25)20(4)5/h8-9,11-12,17H,6-7,10H2,1-5H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 381.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 52501367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).