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

C20H23N3O5S — CID 9474100

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23N3O5S/c1-22(2)29(26,27)18-13-14(10-11-17(18)28-3)21-20(25)15-7-4-5-8-16(15)23-12-6-9-19(23)24/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,25)
InChIKeyFTKZNYPKDIQJJE-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.32
Rot. Bonds6

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

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9474100) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9474100
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23N3O5S/c1-22(2)29(26,27)18-13-14(10-11-17(18)28-3)21-20(25)15-7-4-5-8-16(15)23-12-6-9-19(23)24/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,25)
InChIKeyFTKZNYPKDIQJJE-UHFFFAOYSA-N
XLogP2.32
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9139011
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 9474100) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FTKZNYPKDIQJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-22(2)29(26,27)18-13-14(10-11-17(18)28-3)21-20(25)15-7-4-5-8-16(15)23-12-6-9-19(23)24/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).