2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide

C13H12N2O4S2 — CID 110760667

IUPAC2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCCc3cccs3)ccc2o1
InChIInChI=1S/C13H12N2O4S2/c16-13-15-11-8-10(3-4-12(11)19-13)21(17,18)14-6-5-9-2-1-7-20-9/h1-4,7-8,14H,5-6H2,(H,15,16)
InChIKeyVGDLVOBRCWQIAU-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.70
Rot. Bonds5

About 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide

2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760667) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID110760667
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCCc3cccs3)ccc2o1
InChIInChI=1S/C13H12N2O4S2/c16-13-15-11-8-10(3-4-12(11)19-13)21(17,18)14-6-5-9-2-1-7-20-9/h1-4,7-8,14H,5-6H2,(H,15,16)
InChIKeyVGDLVOBRCWQIAU-UHFFFAOYSA-N
XLogP1.70
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024908
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31887518
2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110320478

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide (CID 110760667) is 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide is O=c1[nH]c2cc(S(=O)(=O)NCCc3cccs3)ccc2o1.
What is the InChIKey of 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is VGDLVOBRCWQIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c16-13-15-11-8-10(3-4-12(11)19-13)21(17,18)14-6-5-9-2-1-7-20-9/h1-4,7-8,14H,5-6H2,(H,15,16).
What are the key properties of 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide?
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).