4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide

C20H21N3O4S — CID 3240782

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1C
InChIInChI=1S/C20H21N3O4S/c1-12-5-8-18(11-13(12)2)21-20(24)16-6-9-17(10-7-16)23-28(25,26)19-14(3)22-27-15(19)4/h5-11,23H,1-4H3,(H,21,24)
InChIKeyMVZQECDNSUFKDS-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.96
Rot. Bonds5

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide (PubChem CID 3240782) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide
PubChem CID3240782
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1C
InChIInChI=1S/C20H21N3O4S/c1-12-5-8-18(11-13(12)2)21-20(24)16-6-9-17(10-7-16)23-28(25,26)19-14(3)22-27-15(19)4/h5-11,23H,1-4H3,(H,21,24)
InChIKeyMVZQECDNSUFKDS-UHFFFAOYSA-N
XLogP3.96
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)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

1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide
CID 7436939
N-[8-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-2-yl]-acetamide
CID 9998564
N-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-yl]-acetamide
CID 10338501
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylbenzamide
CID 1182484
(2E)-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-phenylprop-2-e namide
CID 2319873
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-3-(4-isopropylphenyl)acrylamide
CID 1000772
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2,4,6-trimethylbenzamide
CID 1107621
N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide
CID 1188866
N-(3,4-dimethyl-5-isoxazolyl)-4-{[3-(4-methylphenyl)-3-oxo-1-propen-1-yl]amino}benzenesulfonamide
CID 1224205
3-cyclohexyl-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)propanamide
CID 2059808
N-(3,4-dimethylisoxazol-5-yl)-4-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2295098

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide (CID 3240782) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is MVZQECDNSUFKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-12-5-8-18(11-13(12)2)21-20(24)16-6-9-17(10-7-16)23-28(25,26)19-14(3)22-27-15(19)4/h5-11,23H,1-4H3,(H,21,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 3240782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).