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

C24H27N3O3S2 — CID 16944785

IUPACN-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C24H27N3O3S2/c1-17-8-10-21(11-9-17)32(29,30)26-24-25-18(2)22(31-24)23(28)27-14-12-20(13-15-27)16-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,25,26)
InChIKeyDZZDGXCILQRHBU-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.66
Rot. Bonds6

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

N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 16944785) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID16944785
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC NameN-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C24H27N3O3S2/c1-17-8-10-21(11-9-17)32(29,30)26-24-25-18(2)22(31-24)23(28)27-14-12-20(13-15-27)16-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,25,26)
InChIKeyDZZDGXCILQRHBU-UHFFFAOYSA-N
XLogP4.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.66
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]benzenesulfonamide
CID 16944348
methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 16944929
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944349
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944488
(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
CID 100748960
N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945182
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 16944785) is N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1.
What is the InChIKey of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is DZZDGXCILQRHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-17-8-10-21(11-9-17)32(29,30)26-24-25-18(2)22(31-24)23(28)27-14-12-20(13-15-27)16-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,25,26).
What are the key properties of N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 469.63 g/mol, XLogP of 4.66, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16944785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).