N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H21N3O4S — CID 4875218

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H21N3O4S/c1-21(2)27(25,26)17-6-3-5-15(13-17)20-19(24)14-8-10-16(11-9-14)22-12-4-7-18(22)23/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,24)
InChIKeyAXUHYCMJHZQSKP-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 4875218) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID4875218
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H21N3O4S/c1-21(2)27(25,26)17-6-3-5-15(13-17)20-19(24)14-8-10-16(11-9-14)22-12-4-7-18(22)23/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,24)
InChIKeyAXUHYCMJHZQSKP-UHFFFAOYSA-N
XLogP2.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 4875218) is N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AXUHYCMJHZQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-21(2)27(25,26)17-6-3-5-15(13-17)20-19(24)14-8-10-16(11-9-14)22-12-4-7-18(22)23/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4875218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).