N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide

C19H18N4O5S — CID 162673686

IUPACN-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(C(=O)NNC(=O)c3ccccc3)no2)cc1
InChIInChI=1S/C19H18N4O5S/c1-13-7-9-16(10-8-13)29(26,27)20-12-15-11-17(23-28-15)19(25)22-21-18(24)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyWWXKMWWFPAQDPH-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.54
Rot. Bonds6

About N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide

N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 162673686) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID162673686
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(C(=O)NNC(=O)c3ccccc3)no2)cc1
InChIInChI=1S/C19H18N4O5S/c1-13-7-9-16(10-8-13)29(26,27)20-12-15-11-17(23-28-15)19(25)22-21-18(24)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyWWXKMWWFPAQDPH-UHFFFAOYSA-N
XLogP1.54
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide 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-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
CID 4109679
N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26247665
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide
CID 71853597
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 19150636
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 77088154

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide (CID 162673686) is N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc(C(=O)NNC(=O)c3ccccc3)no2)cc1.
What is the InChIKey of N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is WWXKMWWFPAQDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-13-7-9-16(10-8-13)29(26,27)20-12-15-11-17(23-28-15)19(25)22-21-18(24)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide?
N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 414.44 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 162673686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).