N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C23H20N2O4S — CID 3702958

IUPACN-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4S/c1-28-20-14-12-17(13-15-20)16-24-30(26,27)23-21(18-8-4-2-5-9-18)29-22(25-23)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3
InChIKeyCYEABTLXQAQZKI-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.50
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 3702958) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID3702958
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4S/c1-28-20-14-12-17(13-15-20)16-24-30(26,27)23-21(18-8-4-2-5-9-18)29-22(25-23)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3
InChIKeyCYEABTLXQAQZKI-UHFFFAOYSA-N
XLogP4.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide 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-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3844848
2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide
CID 3758360
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25041851
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
2,5-diphenyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-sulfonamide
CID 3783294
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607
N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 4254221
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 5100775
N-(2-methylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25034963
1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
CID 175957833

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 3702958) is N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is COc1ccc(CNS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is CYEABTLXQAQZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-28-20-14-12-17(13-15-20)16-24-30(26,27)23-21(18-8-4-2-5-9-18)29-22(25-23)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 420.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 3702958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).