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

C17H18FN3O2S2 — CID 7546188

IUPAC2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C17H18FN3O2S2/c1-21-7-6-12-13(8-21)25-17(15(12)16(19)23)20-14(22)9-24-11-4-2-10(18)3-5-11/h2-5H,6-9H2,1H3,(H2,19,23)(H,20,22)
InChIKeyBAUKVHJCBZJFQC-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.70
Rot. Bonds5

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

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7546188) has the molecular formula C17H18FN3O2S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID7546188
Molecular FormulaC17H18FN3O2S2
Molecular Weight379.48 g/mol
Exact Mass379.08
IUPAC Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C17H18FN3O2S2/c1-21-7-6-12-13(8-21)25-17(15(12)16(19)23)20-14(22)9-24-11-4-2-10(18)3-5-11/h2-5H,6-9H2,1H3,(H2,19,23)(H,20,22)
InChIKeyBAUKVHJCBZJFQC-UHFFFAOYSA-N
XLogP2.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7546188) is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BAUKVHJCBZJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S2/c1-21-7-6-12-13(8-21)25-17(15(12)16(19)23)20-14(22)9-24-11-4-2-10(18)3-5-11/h2-5H,6-9H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7546188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).