2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide

C18H18N2O5S — CID 53094918

IUPAC2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-c2ccno2)cc1OC
InChIInChI=1S/C18H18N2O5S/c1-23-15-6-4-3-5-14(15)12-20-26(21,22)18-8-7-13(11-17(18)24-2)16-9-10-19-25-16/h3-11,20H,12H2,1-2H3
InChIKeyOXGIHEXSAVFJRV-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.84
Rot. Bonds7

About 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide

2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53094918) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53094918
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-c2ccno2)cc1OC
InChIInChI=1S/C18H18N2O5S/c1-23-15-6-4-3-5-14(15)12-20-26(21,22)18-8-7-13(11-17(18)24-2)16-9-10-19-25-16/h3-11,20H,12H2,1-2H3
InChIKeyOXGIHEXSAVFJRV-UHFFFAOYSA-N
XLogP2.84
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094862
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95075806
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094934
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094864
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide (CID 53094918) is 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(-c2ccno2)cc1OC.
What is the InChIKey of 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is OXGIHEXSAVFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-23-15-6-4-3-5-14(15)12-20-26(21,22)18-8-7-13(11-17(18)24-2)16-9-10-19-25-16/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide?
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53094918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).