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

C15H18N2O3S2 — CID 47051600

IUPAC4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCc1nc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cs1
InChIInChI=1S/C15H18N2O3S2/c1-4-15-16-13(10-21-15)9-17(3)22(19,20)14-7-5-12(6-8-14)11(2)18/h5-8,10H,4,9H2,1-3H3
InChIKeyZAJNDTINXBCBCH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.73
Rot. Bonds6

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

4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 47051600) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID47051600
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCc1nc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cs1
InChIInChI=1S/C15H18N2O3S2/c1-4-15-16-13(10-21-15)9-17(3)22(19,20)14-7-5-12(6-8-14)11(2)18/h5-8,10H,4,9H2,1-3H3
InChIKeyZAJNDTINXBCBCH-UHFFFAOYSA-N
XLogP2.73
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate
CID 47959412
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 47959380
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55534295
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
4-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]ethyl]benzenesulfonamide
CID 47020602
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide
CID 95033110
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462
4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 18269725
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 47051600) is 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCc1nc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cs1.
What is the InChIKey of 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is ZAJNDTINXBCBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-4-15-16-13(10-21-15)9-17(3)22(19,20)14-7-5-12(6-8-14)11(2)18/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide?
4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 47051600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).