2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide

C15H17N3O4S2 — CID 167924426

IUPAC2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1nc(C(=O)NS(=O)(=O)c2ccc(C)c(N(C)C)c2)cs1
InChIInChI=1S/C15H17N3O4S2/c1-9-5-6-11(7-13(9)18(3)4)24(21,22)17-14(20)12-8-23-15(16-12)10(2)19/h5-8H,1-4H3,(H,17,20)
InChIKeyGHDCOCAVXOEYDG-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.84
Rot. Bonds5

About 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide

2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 167924426) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide
PubChem CID167924426
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1nc(C(=O)NS(=O)(=O)c2ccc(C)c(N(C)C)c2)cs1
InChIInChI=1S/C15H17N3O4S2/c1-9-5-6-11(7-13(9)18(3)4)24(21,22)17-14(20)12-8-23-15(16-12)10(2)19/h5-8H,1-4H3,(H,17,20)
InChIKeyGHDCOCAVXOEYDG-UHFFFAOYSA-N
XLogP1.84
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide
CID 75398161
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 115377305
N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide
CID 71917036
3-(dimethylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 71911224
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 155961799
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194
(2R)-4-amino-2-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-4-oxobutanoic acid
CID 167896354
ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate
CID 139017531
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
CID 115379577
N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71893535

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide (CID 167924426) is 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide is CC(=O)c1nc(C(=O)NS(=O)(=O)c2ccc(C)c(N(C)C)c2)cs1.
What is the InChIKey of 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is GHDCOCAVXOEYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-9-5-6-11(7-13(9)18(3)4)24(21,22)17-14(20)12-8-23-15(16-12)10(2)19/h5-8H,1-4H3,(H,17,20).
What are the key properties of 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide?
2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167924426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).