6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H20FN3O2S2 — CID 7546152

IUPAC6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C18H20FN3O2S2/c1-2-22-8-7-13-14(9-22)26-18(16(13)17(20)24)21-15(23)10-25-12-5-3-11(19)4-6-12/h3-6H,2,7-10H2,1H3,(H2,20,24)(H,21,23)
InChIKeyWUCMOQPQIJVAMT-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.09
Rot. Bonds6

About 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7546152) has the molecular formula C18H20FN3O2S2 and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID7546152
Molecular FormulaC18H20FN3O2S2
Molecular Weight393.51 g/mol
Exact Mass393.10
IUPAC Name6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C18H20FN3O2S2/c1-2-22-8-7-13-14(9-22)26-18(16(13)17(20)24)21-15(23)10-25-12-5-3-11(19)4-6-12/h3-6H,2,7-10H2,1H3,(H2,20,24)(H,21,23)
InChIKeyWUCMOQPQIJVAMT-UHFFFAOYSA-N
XLogP3.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7546152) is 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1.
What is the InChIKey of 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is WUCMOQPQIJVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S2/c1-2-22-8-7-13-14(9-22)26-18(16(13)17(20)24)21-15(23)10-25-12-5-3-11(19)4-6-12/h3-6H,2,7-10H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7546152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).