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

C18H18FN3O3S — CID 7597274

IUPAC6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C18H18FN3O3S/c1-10(23)22-7-6-13-14(9-22)26-18(16(13)17(20)25)21-15(24)8-11-2-4-12(19)5-3-11/h2-5H,6-9H2,1H3,(H2,20,25)(H,21,24)
InChIKeyUXFPBAKURIRZAD-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.07
Rot. Bonds4

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

6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7597274) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID7597274
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C18H18FN3O3S/c1-10(23)22-7-6-13-14(9-22)26-18(16(13)17(20)25)21-15(24)8-11-2-4-12(19)5-3-11/h2-5H,6-9H2,1H3,(H2,20,25)(H,21,24)
InChIKeyUXFPBAKURIRZAD-UHFFFAOYSA-N
XLogP2.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7597274) is 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is UXFPBAKURIRZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-10(23)22-7-6-13-14(9-22)26-18(16(13)17(20)25)21-15(24)8-11-2-4-12(19)5-3-11/h2-5H,6-9H2,1H3,(H2,20,25)(H,21,24).
What are the key properties of 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[[2-(4-fluorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7597274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).