N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

C15H14N2O4S2 — CID 53111981

IUPACN-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-c2ccno2)s1
InChIInChI=1S/C15H14N2O4S2/c1-20-12-5-3-2-4-11(12)10-17-23(18,19)15-7-6-14(22-15)13-8-9-16-21-13/h2-9,17H,10H2,1H3
InChIKeyXGNBIFVWUHWRJG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.89
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53111981) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID53111981
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-c2ccno2)s1
InChIInChI=1S/C15H14N2O4S2/c1-20-12-5-3-2-4-11(12)10-17-23(18,19)15-7-6-14(22-15)13-8-9-16-21-13/h2-9,17H,10H2,1H3
InChIKeyXGNBIFVWUHWRJG-UHFFFAOYSA-N
XLogP2.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide;hydrochloride
CID 21091850
N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112019
N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094862
N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068104
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53103065
N-[5-[(E)-2-[5-[(2-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 50842246

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 53111981) is N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(-c2ccno2)s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is XGNBIFVWUHWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-20-12-5-3-2-4-11(12)10-17-23(18,19)15-7-6-14(22-15)13-8-9-16-21-13/h2-9,17H,10H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 350.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).