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

C14H16N2O3S2 — CID 115681422

IUPAC4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-9-8-15-14(20-9)10(2)16-21(18,19)13-6-4-12(5-7-13)11(3)17/h4-8,10,16H,1-3H3
InChIKeyWVPJPKXOVWJGAV-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.69
Rot. Bonds5

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

4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 115681422) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID115681422
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-9-8-15-14(20-9)10(2)16-21(18,19)13-6-4-12(5-7-13)11(3)17/h4-8,10,16H,1-3H3
InChIKeyWVPJPKXOVWJGAV-UHFFFAOYSA-N
XLogP2.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(hydroxymethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107090869
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103171734
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
3-amino-5-fluoro-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 116792150
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide
CID 102563477
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 115681422) is 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC(C)c2ncc(C)s2)cc1.
What is the InChIKey of 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WVPJPKXOVWJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-8-15-14(20-9)10(2)16-21(18,19)13-6-4-12(5-7-13)11(3)17/h4-8,10,16H,1-3H3.
What are the key properties of 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 115681422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).