N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide

C19H20N2O4S — CID 10067886

IUPACN-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)c(-c2ncco2)c1
InChIInChI=1S/C19H20N2O4S/c1-13(2)14-5-4-6-16(11-14)26(22,23)21-18-8-7-15(24-3)12-17(18)19-20-9-10-25-19/h4-13,21H,1-3H3
InChIKeyQSTAZQFBKKOJSK-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.27
Rot. Bonds6

About N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide

N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 10067886) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide
PubChem CID10067886
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)c(-c2ncco2)c1
InChIInChI=1S/C19H20N2O4S/c1-13(2)14-5-4-6-16(11-14)26(22,23)21-18-8-7-15(24-3)12-17(18)19-20-9-10-25-19/h4-13,21H,1-3H3
InChIKeyQSTAZQFBKKOJSK-UHFFFAOYSA-N
XLogP4.27
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 11740653
2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole
CID 59772468
3-methyl-N-[6-(1,3-oxazol-2-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 69212590
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate
CID 71041596
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
N-(2,4-dimethoxyphenyl)-4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747618
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide
CID 24765894
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 3871398

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide (CID 10067886) is N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)c(-c2ncco2)c1.
What is the InChIKey of N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is QSTAZQFBKKOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13(2)14-5-4-6-16(11-14)26(22,23)21-18-8-7-15(24-3)12-17(18)19-20-9-10-25-19/h4-13,21H,1-3H3.
What are the key properties of N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide?
N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 10067886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).