5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide

C14H14N2O3S2 — CID 110729074

IUPAC5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)s1
InChIInChI=1S/C14H14N2O3S2/c1-3-11-5-7-14(20-11)21(17,18)16-10-4-6-12-13(8-10)19-9(2)15-12/h4-8,16H,3H2,1-2H3
InChIKeyPKLDOOMVWSUWIM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.56
Rot. Bonds4

About 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide

5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide (PubChem CID 110729074) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
PubChem CID110729074
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)s1
InChIInChI=1S/C14H14N2O3S2/c1-3-11-5-7-14(20-11)21(17,18)16-10-4-6-12-13(8-10)19-9(2)15-12/h4-8,16H,3H2,1-2H3
InChIKeyPKLDOOMVWSUWIM-UHFFFAOYSA-N
XLogP3.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
CID 110724387
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110779086
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide (CID 110729074) is 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)s1.
What is the InChIKey of 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide?
The InChIKey is PKLDOOMVWSUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-3-11-5-7-14(20-11)21(17,18)16-10-4-6-12-13(8-10)19-9(2)15-12/h4-8,16H,3H2,1-2H3.
What are the key properties of 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide?
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110729074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).