N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C18H18N2O4S — CID 53095046

IUPACN-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C)no2)cc1C
InChIInChI=1S/C18H18N2O4S/c1-12-10-14(17-11-13(2)19-24-17)8-9-18(12)25(21,22)20-15-6-4-5-7-16(15)23-3/h4-11,20H,1-3H3
InChIKeyUGFOAAXMQKCLRP-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.77
Rot. Bonds5

About N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53095046) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53095046
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C)no2)cc1C
InChIInChI=1S/C18H18N2O4S/c1-12-10-14(17-11-13(2)19-24-17)8-9-18(12)25(21,22)20-15-6-4-5-7-16(15)23-3/h4-11,20H,1-3H3
InChIKeyUGFOAAXMQKCLRP-UHFFFAOYSA-N
XLogP3.77
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
N-(3-chloro-2-methylphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094995
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
N-(3-chloro-2-methylphenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094799
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094791
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 53095046) is N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C)no2)cc1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is UGFOAAXMQKCLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-10-14(17-11-13(2)19-24-17)8-9-18(12)25(21,22)20-15-6-4-5-7-16(15)23-3/h4-11,20H,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53095046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).