N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide

C13H12N2O3S2 — CID 110707437

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc2ocnc2c1)c1cccs1
InChIInChI=1S/C13H12N2O3S2/c16-20(17,13-2-1-7-19-13)15-6-5-10-3-4-12-11(8-10)14-9-18-12/h1-4,7-9,15H,5-6H2
InChIKeySROPISFGVFUZEE-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide

N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110707437) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110707437
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc2ocnc2c1)c1cccs1
InChIInChI=1S/C13H12N2O3S2/c16-20(17,13-2-1-7-19-13)15-6-5-10-3-4-12-11(8-10)14-9-18-12/h1-4,7-9,15H,5-6H2
InChIKeySROPISFGVFUZEE-UHFFFAOYSA-N
XLogP2.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-[2-(1,3-benzoxazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110707436
3-acetyl-N-[2-(1,3-benzoxazol-5-yl)ethyl]benzenesulfonamide
CID 110707458
N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722045
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
CID 110788681
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110791001
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 110707437) is N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc2ocnc2c1)c1cccs1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SROPISFGVFUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c16-20(17,13-2-1-7-19-13)15-6-5-10-3-4-12-11(8-10)14-9-18-12/h1-4,7-9,15H,5-6H2.
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110707437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).