N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H14N2O4S2 — CID 71893535

IUPACN-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C14H14N2O4S2/c1-8-13(21-10(3)15-8)14(18)16-22(19,20)12-6-4-5-11(7-12)9(2)17/h4-7H,1-3H3,(H,16,18)
InChIKeyXMAUXEPKFVXVHF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.08
Rot. Bonds4

About N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 71893535) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID71893535
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C14H14N2O4S2/c1-8-13(21-10(3)15-8)14(18)16-22(19,20)12-6-4-5-11(7-12)9(2)17/h4-7H,1-3H3,(H,16,18)
InChIKeyXMAUXEPKFVXVHF-UHFFFAOYSA-N
XLogP2.08
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395197
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide
CID 167963055
[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469402
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16644290
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 71893535) is N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(S(=O)(=O)NC(=O)c2sc(C)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is XMAUXEPKFVXVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-8-13(21-10(3)15-8)14(18)16-22(19,20)12-6-4-5-11(7-12)9(2)17/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71893535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).