3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

C27H29N3O4S — CID 24504087

IUPAC3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1C
InChIInChI=1S/C27H29N3O4S/c1-3-30(24-8-5-4-6-9-24)35(33,34)25-18-22(14-11-20(25)2)27(32)28-19-21-12-15-23(16-13-21)29-17-7-10-26(29)31/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3,(H,28,32)
InChIKeyCYVVMDSQTXHSMN-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.27
Rot. Bonds8

About 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (PubChem CID 24504087) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
PubChem CID24504087
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1C
InChIInChI=1S/C27H29N3O4S/c1-3-30(24-8-5-4-6-9-24)35(33,34)25-18-22(14-11-20(25)2)27(32)28-19-21-12-15-23(16-13-21)29-17-7-10-26(29)31/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3,(H,28,32)
InChIKeyCYVVMDSQTXHSMN-UHFFFAOYSA-N
XLogP4.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17484073
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 30540723
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
3-[methoxy(methyl)sulfamoyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589604
3-methyl-4-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588443
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (CID 24504087) is 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1C.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is CYVVMDSQTXHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-3-30(24-8-5-4-6-9-24)35(33,34)25-18-22(14-11-20(25)2)27(32)28-19-21-12-15-23(16-13-21)29-17-7-10-26(29)31/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3,(H,28,32).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 491.61 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 24504087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).