N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

C21H27N3O3S2 — CID 71842117

IUPACN-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1cc(C)cc(S(=O)(=O)N2CCC(c3nc(CNC(=O)C4CC4)cs3)CC2)c1
InChIInChI=1S/C21H27N3O3S2/c1-14-9-15(2)11-19(10-14)29(26,27)24-7-5-17(6-8-24)21-23-18(13-28-21)12-22-20(25)16-3-4-16/h9-11,13,16-17H,3-8,12H2,1-2H3,(H,22,25)
InChIKeySQLVDPQLUDKRAD-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.35
Rot. Bonds6

About N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 71842117) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID71842117
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC NameN-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1cc(C)cc(S(=O)(=O)N2CCC(c3nc(CNC(=O)C4CC4)cs3)CC2)c1
InChIInChI=1S/C21H27N3O3S2/c1-14-9-15(2)11-19(10-14)29(26,27)24-7-5-17(6-8-24)21-23-18(13-28-21)12-22-20(25)16-3-4-16/h9-11,13,16-17H,3-8,12H2,1-2H3,(H,22,25)
InChIKeySQLVDPQLUDKRAD-UHFFFAOYSA-N
XLogP3.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842140
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 87050213
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55754022
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
N-[(3-chloro-4-methylphenyl)methyl]-2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3846214
1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 37157499
N-[[2-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842156

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (CID 71842117) is N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is Cc1cc(C)cc(S(=O)(=O)N2CCC(c3nc(CNC(=O)C4CC4)cs3)CC2)c1.
What is the InChIKey of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is SQLVDPQLUDKRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c1-14-9-15(2)11-19(10-14)29(26,27)24-7-5-17(6-8-24)21-23-18(13-28-21)12-22-20(25)16-3-4-16/h9-11,13,16-17H,3-8,12H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 433.60 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 71842117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).