N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide

C14H18N2O5S — CID 47959232

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1OC
InChIInChI=1S/C14H18N2O5S/c1-9-12(10(2)21-16-9)8-15-22(17,18)11-5-6-13(19-3)14(7-11)20-4/h5-7,15H,8H2,1-4H3
InChIKeyIYXKBCUUXAZSKW-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.79
Rot. Bonds6

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 47959232) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID47959232
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1OC
InChIInChI=1S/C14H18N2O5S/c1-9-12(10(2)21-16-9)8-15-22(17,18)11-5-6-13(19-3)14(7-11)20-4/h5-7,15H,8H2,1-4H3
InChIKeyIYXKBCUUXAZSKW-UHFFFAOYSA-N
XLogP1.79
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
CID 167808293
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110731011
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850580
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 22209374
5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
CID 78980153
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 110293562
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzenesulfonamide
CID 79238145
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methoxy-5-nitrophenyl)methanamine
CID 78942120
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
3,4-dimethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121697

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 47959232) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1OC.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is IYXKBCUUXAZSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-9-12(10(2)21-16-9)8-15-22(17,18)11-5-6-13(19-3)14(7-11)20-4/h5-7,15H,8H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 47959232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).