3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide

C24H32N4O4S — CID 47093383

IUPAC3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
SMILESCCCCC(NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H32N4O4S/c1-3-4-13-22(27-23(29)18-9-7-12-21(16-18)33(31,32)25-2)24(30)26-19-10-8-11-20(17-19)28-14-5-6-15-28/h7-12,16-17,22,25H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyYUQMTWQQKFNLTJ-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.12
Rot. Bonds10

About 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide

3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide (PubChem CID 47093383) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide.

Molecular Properties

Compound Name3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
PubChem CID47093383
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
SMILESCCCCC(NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H32N4O4S/c1-3-4-13-22(27-23(29)18-9-7-12-21(16-18)33(31,32)25-2)24(30)26-19-10-8-11-20(17-19)28-14-5-6-15-28/h7-12,16-17,22,25H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyYUQMTWQQKFNLTJ-UHFFFAOYSA-N
XLogP3.12
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
The IUPAC name of 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide (CID 47093383) is 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide.
What is the SMILES notation for 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
The canonical SMILES for 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide is CCCCC(NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
The InChIKey is YUQMTWQQKFNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-3-4-13-22(27-23(29)18-9-7-12-21(16-18)33(31,32)25-2)24(30)26-19-10-8-11-20(17-19)28-14-5-6-15-28/h7-12,16-17,22,25H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide has a molecular weight of 472.61 g/mol, XLogP of 3.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide is sourced from PubChem (CID 47093383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).