3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C15H18N2O3S2 — CID 110395197

IUPAC3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2sc(C)nc2C)c1
InChIInChI=1S/C15H18N2O3S2/c1-10-15(21-12(3)17-10)7-8-16-22(19,20)14-6-4-5-13(9-14)11(2)18/h4-6,9,16H,7-8H2,1-3H3
InChIKeyPJMHNSRVVUYRLQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.48
Rot. Bonds6

About 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110395197) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110395197
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2sc(C)nc2C)c1
InChIInChI=1S/C15H18N2O3S2/c1-10-15(21-12(3)17-10)7-8-16-22(19,20)14-6-4-5-13(9-14)11(2)18/h4-6,9,16H,7-8H2,1-3H3
InChIKeyPJMHNSRVVUYRLQ-UHFFFAOYSA-N
XLogP2.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71893535
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660707
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789489
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 110395197) is 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCc2sc(C)nc2C)c1.
What is the InChIKey of 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is PJMHNSRVVUYRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-15(21-12(3)17-10)7-8-16-22(19,20)14-6-4-5-13(9-14)11(2)18/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110395197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).