N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H19N3O4S — CID 70693468

IUPACN-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cc(Nc2ccccc2)ccc1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C18H19N3O4S/c1-12-18(13(2)25-20-12)26(22,23)21-16-10-9-15(11-17(16)24-3)19-14-7-5-4-6-8-14/h4-11,19,21H,1-3H3
InChIKeyOHMKNLXAJNRWAR-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.84
Rot. Bonds6

About N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 70693468) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID70693468
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cc(Nc2ccccc2)ccc1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C18H19N3O4S/c1-12-18(13(2)25-20-12)26(22,23)21-16-10-9-15(11-17(16)24-3)19-14-7-5-4-6-8-14/h4-11,19,21H,1-3H3
InChIKeyOHMKNLXAJNRWAR-UHFFFAOYSA-N
XLogP3.84
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-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

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 70693468) is N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1cc(Nc2ccccc2)ccc1NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OHMKNLXAJNRWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-18(13(2)25-20-12)26(22,23)21-16-10-9-15(11-17(16)24-3)19-14-7-5-4-6-8-14/h4-11,19,21H,1-3H3.
What are the key properties of N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 70693468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).