N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide

C11H14N2O3S2 — CID 73440737

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCCc1cc(CNS(=O)(=O)c2ccc(C)s2)on1
InChIInChI=1S/C11H14N2O3S2/c1-3-9-6-10(16-13-9)7-12-18(14,15)11-5-4-8(2)17-11/h4-6,12H,3,7H2,1-2H3
InChIKeyYHEXBPHZVKNRPR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.09
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 73440737) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID73440737
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCCc1cc(CNS(=O)(=O)c2ccc(C)s2)on1
InChIInChI=1S/C11H14N2O3S2/c1-3-9-6-10(16-13-9)7-12-18(14,15)11-5-4-8(2)17-11/h4-6,12H,3,7H2,1-2H3
InChIKeyYHEXBPHZVKNRPR-UHFFFAOYSA-N
XLogP2.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide (CID 73440737) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide is CCc1cc(CNS(=O)(=O)c2ccc(C)s2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is YHEXBPHZVKNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-3-9-6-10(16-13-9)7-12-18(14,15)11-5-4-8(2)17-11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 73440737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).