4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide

C20H26N4O3S — CID 100504301

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-22(2)28(26,27)23(3)18-10-6-16(7-11-18)20(25)21-17-8-12-19(13-9-17)24-14-4-5-15-24/h6-13H,4-5,14-15H2,1-3H3,(H,21,25)
InChIKeyLLNLEFTYADVXMK-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.78
Rot. Bonds6

About 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 100504301) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID100504301
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-22(2)28(26,27)23(3)18-10-6-16(7-11-18)20(25)21-17-8-12-19(13-9-17)24-14-4-5-15-24/h6-13H,4-5,14-15H2,1-3H3,(H,21,25)
InChIKeyLLNLEFTYADVXMK-UHFFFAOYSA-N
XLogP2.78
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)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

N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 110753185
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
4-[ethyl(ethylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507619
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
CID 53283134
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507663
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 100504301) is 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is LLNLEFTYADVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-22(2)28(26,27)23(3)18-10-6-16(7-11-18)20(25)21-17-8-12-19(13-9-17)24-14-4-5-15-24/h6-13H,4-5,14-15H2,1-3H3,(H,21,25).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 100504301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).