(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide

C14H16N2O2S2 — CID 75407835

IUPAC(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide
SMILESCc1cnc(CCNS(=O)(=O)/C=C/c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S2/c1-12-11-15-14(19-12)7-9-16-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,8,10-11,16H,7,9H2,1H3/b10-8+
InChIKeyCQHFONGOUKKLCT-CSKARUKUSA-N
MW308.43 g/mol
LogP2.58
Rot. Bonds6

About (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide

(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide (PubChem CID 75407835) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide
PubChem CID75407835
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide
SMILESCc1cnc(CCNS(=O)(=O)/C=C/c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S2/c1-12-11-15-14(19-12)7-9-16-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,8,10-11,16H,7,9H2,1H3/b10-8+
InChIKeyCQHFONGOUKKLCT-CSKARUKUSA-N
XLogP2.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide (CID 75407835) is (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide is Cc1cnc(CCNS(=O)(=O)/C=C/c2ccccc2)s1.
What is the InChIKey of (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide?
The InChIKey is CQHFONGOUKKLCT-CSKARUKUSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-12-11-15-14(19-12)7-9-16-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,8,10-11,16H,7,9H2,1H3/b10-8+.
What are the key properties of (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide?
(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 75407835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).