2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H13F3N2O3S — CID 46396004

IUPAC2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2s1
InChIInChI=1S/C17H13F3N2O3S/c1-10-8-13-14(26-10)6-7-22(16(13)24)9-15(23)21-11-2-4-12(5-3-11)25-17(18,19)20/h2-8H,9H2,1H3,(H,21,23)
InChIKeyAUKWRTPIIBSMCH-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 46396004) has the molecular formula C17H13F3N2O3S and a molecular weight of 382.36 g/mol. Its IUPAC name is 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID46396004
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36 g/mol
Exact Mass382.06
IUPAC Name2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2s1
InChIInChI=1S/C17H13F3N2O3S/c1-10-8-13-14(26-10)6-7-22(16(13)24)9-15(23)21-11-2-4-12(5-3-11)25-17(18,19)20/h2-8H,9H2,1H3,(H,21,23)
InChIKeyAUKWRTPIIBSMCH-UHFFFAOYSA-N
XLogP3.91
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395963
N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395960
N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396000
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5001004
2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5168236
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148334
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 700874
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 46396004) is 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cc2c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2s1.
What is the InChIKey of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AUKWRTPIIBSMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3S/c1-10-8-13-14(26-10)6-7-22(16(13)24)9-15(23)21-11-2-4-12(5-3-11)25-17(18,19)20/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 382.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 46396004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).