1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C20H19F2N3O4S2 — CID 31892415

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc12
InChIInChI=1S/C20H19F2N3O4S2/c1-29-16-3-2-4-17-18(16)23-20(30-17)24-19(26)12-7-9-25(10-8-12)31(27,28)13-5-6-14(21)15(22)11-13/h2-6,11-12H,7-10H2,1H3,(H,23,24,26)
InChIKeyJEYRZFJBGQLXLO-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.62
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 31892415) has the molecular formula C20H19F2N3O4S2 and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID31892415
Molecular FormulaC20H19F2N3O4S2
Molecular Weight467.52 g/mol
Exact Mass467.08
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc12
InChIInChI=1S/C20H19F2N3O4S2/c1-29-16-3-2-4-17-18(16)23-20(30-17)24-19(26)12-7-9-25(10-8-12)31(27,28)13-5-6-14(21)15(22)11-13/h2-6,11-12H,7-10H2,1H3,(H,23,24,26)
InChIKeyJEYRZFJBGQLXLO-UHFFFAOYSA-N
XLogP3.62
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892479
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831616
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829090
N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828488
1-(2,2-dimethylpropanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 51284534
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637
N-(3,4-difluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549818
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830554
N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831825

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 31892415) is 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is COc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc12.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is JEYRZFJBGQLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S2/c1-29-16-3-2-4-17-18(16)23-20(30-17)24-19(26)12-7-9-25(10-8-12)31(27,28)13-5-6-14(21)15(22)11-13/h2-6,11-12H,7-10H2,1H3,(H,23,24,26).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 31892415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).