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

C23H25N3O3S2 — CID 16944348

IUPACN-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S2/c1-17-21(30-23(24-17)25-31(28,29)20-10-6-3-7-11-20)22(27)26-14-12-19(13-15-26)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3,(H,24,25)
InChIKeyVKCSJUAIYOXIFD-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.35
Rot. Bonds6

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

N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 16944348) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID16944348
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S2/c1-17-21(30-23(24-17)25-31(28,29)20-10-6-3-7-11-20)22(27)26-14-12-19(13-15-26)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3,(H,24,25)
InChIKeyVKCSJUAIYOXIFD-UHFFFAOYSA-N
XLogP4.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 16944929
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944488
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123
N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984649
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945182

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide (CID 16944348) is N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is VKCSJUAIYOXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-17-21(30-23(24-17)25-31(28,29)20-10-6-3-7-11-20)22(27)26-14-12-19(13-15-26)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3,(H,24,25).
What are the key properties of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide?
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 455.61 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 16944348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).