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

C14H16N2O3S2 — CID 110716109

IUPAC3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCc2nccs2)c1
InChIInChI=1S/C14H16N2O3S2/c1-11(17)12-4-3-5-13(10-12)21(18,19)16(2)8-6-14-15-7-9-20-14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyXATRPWRLKRXUGY-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.21
Rot. Bonds6

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

3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110716109) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110716109
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCc2nccs2)c1
InChIInChI=1S/C14H16N2O3S2/c1-11(17)12-4-3-5-13(10-12)21(18,19)16(2)8-6-14-15-7-9-20-14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyXATRPWRLKRXUGY-UHFFFAOYSA-N
XLogP2.21
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715950
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716108
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
N-(dimethylsulfamoyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 110716052
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110716079
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 110716109) is 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CCc2nccs2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XATRPWRLKRXUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-11(17)12-4-3-5-13(10-12)21(18,19)16(2)8-6-14-15-7-9-20-14/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110716109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).