1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

C17H19F2N3O3S2 — CID 37157499

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C17H19F2N3O3S2/c1-11-10-26-16(21-11)9-20-17(23)12-4-6-22(7-5-12)27(24,25)13-2-3-14(18)15(19)8-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,23)
InChIKeyPODOWTBKARMPOS-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.45
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 37157499) has the molecular formula C17H19F2N3O3S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID37157499
Molecular FormulaC17H19F2N3O3S2
Molecular Weight415.49 g/mol
Exact Mass415.08
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C17H19F2N3O3S2/c1-11-10-26-16(21-11)9-20-17(23)12-4-6-22(7-5-12)27(24,25)13-2-3-14(18)15(19)8-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,23)
InChIKeyPODOWTBKARMPOS-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
1-(3,4-difluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35747322
N-(1-benzothiophen-3-ylmethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55785759
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72844101
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55754022
1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide
CID 55675373
1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (CID 37157499) is 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PODOWTBKARMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S2/c1-11-10-26-16(21-11)9-20-17(23)12-4-6-22(7-5-12)27(24,25)13-2-3-14(18)15(19)8-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,23).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 37157499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).