N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C19H19F3N2O3S — CID 127039433

IUPACN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)
InChIKeyGKZPYWFFVYSYAD-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 127039433) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID127039433
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)
InChIKeyGKZPYWFFVYSYAD-UHFFFAOYSA-N
XLogP3.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

Gsk3787
CID 2800647
(S)-4-Methylsulfanyl-2-{[5-(pyridine-3-sulfonylmethyl)-biphenyl-2-carbonyl]-amino}-butyric acid
CID 10719665
4-phenyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
CID 45104340
N-(4-(phenylsulfonyl)benzyl)isoquinoline-7-carboxamide
CID 66609743
N-phenyl-4-[(pyridin-2-ylsulfanyl)methyl]benzamide
CID 851610
4-{[(3,4-Dimethyl-phenyl)-methanesulfonyl-amino]-methyl}-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2278790
N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)-3-(3-(trifluoromethyl)phenyl)propan-2-yl)picolinamide
CID 44446989
4-cyclohexyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104341
4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104342
4-chloro-3-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104440
4-bromo-2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104441
N-[2-[[5-(Trifluoromethyl)-2-pyridyl]sulfonyl]ethyl]naphthalene-2-carboxamide
CID 127038041

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 127039433) is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GKZPYWFFVYSYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25).
What are the key properties of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 127039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).