4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide

C33H36N4O6S2 — CID 3119032

IUPAC4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
SMILESCC(CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C33H36N4O6S2/c1-25(35-33(39)29-20-16-27(17-21-29)24-37(45(3,42)43)31-12-8-5-9-13-31)22-34-32(38)28-18-14-26(15-19-28)23-36(44(2,40)41)30-10-6-4-7-11-30/h4-21,25H,22-24H2,1-3H3,(H,34,38)(H,35,39)
InChIKeyXOYDJUSYRLFXFW-UHFFFAOYSA-N
MW648.81 g/mol
LogP4.17
Rot. Bonds13

About 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide

4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide (PubChem CID 3119032) has the molecular formula C33H36N4O6S2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
PubChem CID3119032
Molecular FormulaC33H36N4O6S2
Molecular Weight648.81 g/mol
Exact Mass648.21
IUPAC Name4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
SMILESCC(CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C33H36N4O6S2/c1-25(35-33(39)29-20-16-27(17-21-29)24-37(45(3,42)43)31-12-8-5-9-13-31)22-34-32(38)28-18-14-26(15-19-28)23-36(44(2,40)41)30-10-6-4-7-11-30/h4-21,25H,22-24H2,1-3H3,(H,34,38)(H,35,39)
InChIKeyXOYDJUSYRLFXFW-UHFFFAOYSA-N
XLogP4.17
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]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-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
N-(3-methyl-1-phenylbutyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 43907434
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-[(1S)-1-(4-methylphenyl)propyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 92680361
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
4-[(3,4-difluoro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202031
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202079

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide?
The IUPAC name of 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide (CID 3119032) is 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide.
What is the SMILES notation for 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide?
The canonical SMILES for 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide is CC(CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide?
The InChIKey is XOYDJUSYRLFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O6S2/c1-25(35-33(39)29-20-16-27(17-21-29)24-37(45(3,42)43)31-12-8-5-9-13-31)22-34-32(38)28-18-14-26(15-19-28)23-36(44(2,40)41)30-10-6-4-7-11-30/h4-21,25H,22-24H2,1-3H3,(H,34,38)(H,35,39).
What are the key properties of 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide?
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide has a molecular weight of 648.81 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide is sourced from PubChem (CID 3119032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).