N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide

C19H24N4O4S2 — CID 16945182

IUPACN-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3C)nc2C)CC1
InChIInChI=1S/C19H24N4O4S2/c1-12-5-6-16(13(2)11-12)29(26,27)21-19-20-14(3)17(28-19)18(25)23-9-7-22(8-10-23)15(4)24/h5-6,11H,7-10H2,1-4H3,(H,20,21)
InChIKeyIJXUEUNGMQOTSV-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.17
Rot. Bonds4

About N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide

N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 16945182) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID16945182
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3C)nc2C)CC1
InChIInChI=1S/C19H24N4O4S2/c1-12-5-6-16(13(2)11-12)29(26,27)21-19-20-14(3)17(28-19)18(25)23-9-7-22(8-10-23)15(4)24/h5-6,11H,7-10H2,1-4H3,(H,20,21)
InChIKeyIJXUEUNGMQOTSV-UHFFFAOYSA-N
XLogP2.17
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
1-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16897245
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 16945111
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16945173
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945117
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945138
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944349
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55339656
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944348

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide (CID 16945182) is N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide is CC(=O)N1CCN(C(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3C)nc2C)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is IJXUEUNGMQOTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-12-5-6-16(13(2)11-12)29(26,27)21-19-20-14(3)17(28-19)18(25)23-9-7-22(8-10-23)15(4)24/h5-6,11H,7-10H2,1-4H3,(H,20,21).
What are the key properties of N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 436.56 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 16945182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).