2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide

C20H27N3O5S2 — CID 42925410

IUPAC2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)C(NS(=O)(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H27N3O5S2/c1-15(2)19(23-30(27,28)18-7-5-4-6-8-18)20(24)22-13-16-9-11-17(12-10-16)14-29(25,26)21-3/h4-12,15,19,21,23H,13-14H2,1-3H3,(H,22,24)
InChIKeyWIVPPVHSIXAQKG-UHFFFAOYSA-N
MW453.59 g/mol
LogP1.36
Rot. Bonds10

About 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide

2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide (PubChem CID 42925410) has the molecular formula C20H27N3O5S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
PubChem CID42925410
Molecular FormulaC20H27N3O5S2
Molecular Weight453.59 g/mol
Exact Mass453.14
IUPAC Name2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)C(NS(=O)(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H27N3O5S2/c1-15(2)19(23-30(27,28)18-7-5-4-6-8-18)20(24)22-13-16-9-11-17(12-10-16)14-29(25,26)21-3/h4-12,15,19,21,23H,13-14H2,1-3H3,(H,22,24)
InChIKeyWIVPPVHSIXAQKG-UHFFFAOYSA-N
XLogP1.36
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide 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

(2S)-2-(benzenesulfonamido)-N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide
CID 25488693
(2S)-2-(benzenesulfonamido)-3-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]butanamide
CID 24513892
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606177
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 46486002
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24553281
(2S)-2-(benzenesulfonamido)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)butanamide
CID 24676677
(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 24504052
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide (CID 42925410) is 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide is CNS(=O)(=O)Cc1ccc(CNC(=O)C(NS(=O)(=O)c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
The InChIKey is WIVPPVHSIXAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S2/c1-15(2)19(23-30(27,28)18-7-5-4-6-8-18)20(24)22-13-16-9-11-17(12-10-16)14-29(25,26)21-3/h4-12,15,19,21,23H,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide has a molecular weight of 453.59 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 42925410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).