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

C19H22FN3O2S2 — CID 7546191

IUPAC2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C19H22FN3O2S2/c1-11(2)23-8-7-14-15(9-23)27-19(17(14)18(21)25)22-16(24)10-26-13-5-3-12(20)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyVTHYSUCVFGTIJR-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.48
Rot. Bonds6

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

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7546191) has the molecular formula C19H22FN3O2S2 and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID7546191
Molecular FormulaC19H22FN3O2S2
Molecular Weight407.54 g/mol
Exact Mass407.11
IUPAC Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1
InChIInChI=1S/C19H22FN3O2S2/c1-11(2)23-8-7-14-15(9-23)27-19(17(14)18(21)25)22-16(24)10-26-13-5-3-12(20)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyVTHYSUCVFGTIJR-UHFFFAOYSA-N
XLogP3.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.48
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-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7546191) is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)N1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is VTHYSUCVFGTIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S2/c1-11(2)23-8-7-14-15(9-23)27-19(17(14)18(21)25)22-16(24)10-26-13-5-3-12(20)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.48, 6 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-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7546191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).