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

C18H23N3O3S2 — CID 16944349

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C18H23N3O3S2/c1-12-9-13(2)11-21(10-12)17(22)16-14(3)19-18(25-16)20-26(23,24)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,19,20)
InChIKeyNXHHBWQBQZTMFM-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.37
Rot. Bonds4

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

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 16944349) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID16944349
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C18H23N3O3S2/c1-12-9-13(2)11-21(10-12)17(22)16-14(3)19-18(25-16)20-26(23,24)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,19,20)
InChIKeyNXHHBWQBQZTMFM-UHFFFAOYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944488
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944348
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 16944929
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
N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945182
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
2-[1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 56912530

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide (CID 16944349) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is NXHHBWQBQZTMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-12-9-13(2)11-21(10-12)17(22)16-14(3)19-18(25-16)20-26(23,24)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 16944349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).