4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide

C18H20N2O4S — CID 110676266

IUPAC4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)17(21)10-11-18(22)20-12-14-6-8-15(9-7-14)25(19,23)24/h2-9H,10-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyFIUDISNJHCXADB-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.92
Rot. Bonds7

About 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide

4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 110676266) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID110676266
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)17(21)10-11-18(22)20-12-14-6-8-15(9-7-14)25(19,23)24/h2-9H,10-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyFIUDISNJHCXADB-UHFFFAOYSA-N
XLogP1.92
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)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

N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 110676266) is 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide is Cc1ccccc1C(=O)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is FIUDISNJHCXADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)17(21)10-11-18(22)20-12-14-6-8-15(9-7-14)25(19,23)24/h2-9H,10-12H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide?
4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 360.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 110676266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).