N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C23H27N3O3S2 — CID 53117927

IUPACN-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O3S2/c1-17-24-21(16-30-17)19-8-9-22(29-2)23(14-19)31(27,28)25-20-10-12-26(13-11-20)15-18-6-4-3-5-7-18/h3-9,14,16,20,25H,10-13,15H2,1-2H3
InChIKeyOUALTZFFKTXTSO-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.07
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 53117927) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID53117927
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O3S2/c1-17-24-21(16-30-17)19-8-9-22(29-2)23(14-19)31(27,28)25-20-10-12-26(13-11-20)15-18-6-4-3-5-7-18/h3-9,14,16,20,25H,10-13,15H2,1-2H3
InChIKeyOUALTZFFKTXTSO-UHFFFAOYSA-N
XLogP4.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53009437
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 53117908
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 53117927) is N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is OUALTZFFKTXTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-17-24-21(16-30-17)19-8-9-22(29-2)23(14-19)31(27,28)25-20-10-12-26(13-11-20)15-18-6-4-3-5-7-18/h3-9,14,16,20,25H,10-13,15H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 457.62 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 53117927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).