SBDWNJUPCVOJLH-UHFFFAOYSA-N

Name: SBDWNJUPCVOJLH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₈FN₃O₄S — CID 51041147

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate

SMILESCOC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1

InChIInChI=1S/C23H18FN3O4S/c1-13-3-8-16(24)17(11-13)27-23(29)26-14-4-6-15(7-5-14)31-19-9-10-25-18-12-20(22(28)30-2)32-21(18)19/h3-12H,1-2H3,(H2,26,27,29)

InChIKeySBDWNJUPCVOJLH-UHFFFAOYSA-N

MW451.48 g/mol

LogP5.97

Rot. Bonds5

About SBDWNJUPCVOJLH-UHFFFAOYSA-N

SBDWNJUPCVOJLH-UHFFFAOYSA-N (PubChem CID 51041147) has the molecular formula C₂₃H₁₈FN₃O₄S and a molecular weight of 451.48 g/mol. Its IUPAC name is methyl 7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name	SBDWNJUPCVOJLH-UHFFFAOYSA-N
PubChem CID	51041147
Molecular Formula	C₂₃H₁₈FN₃O₄S
Molecular Weight	451.48 g/mol
Exact Mass	451.10
IUPAC Name	methyl 7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
SMILES	COC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1
InChI	InChI=1S/C23H18FN3O4S/c1-13-3-8-16(24)17(11-13)27-23(29)26-14-4-6-15(7-5-14)31-19-9-10-25-18-12-20(22(28)30-2)32-21(18)19/h3-12H,1-2H3,(H2,26,27,29)
InChIKey	SBDWNJUPCVOJLH-UHFFFAOYSA-N
XLogP	5.97
TPSA	89.55 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.48
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of SBDWNJUPCVOJLH-UHFFFAOYSA-N?

The IUPAC name of SBDWNJUPCVOJLH-UHFFFAOYSA-N (CID 51041147) is methyl 7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate.

What is the SMILES notation for SBDWNJUPCVOJLH-UHFFFAOYSA-N?

The canonical SMILES for SBDWNJUPCVOJLH-UHFFFAOYSA-N is COC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1.

What is the InChIKey of SBDWNJUPCVOJLH-UHFFFAOYSA-N?

The InChIKey is SBDWNJUPCVOJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S/c1-13-3-8-16(24)17(11-13)27-23(29)26-14-4-6-15(7-5-14)31-19-9-10-25-18-12-20(22(28)30-2)32-21(18)19/h3-12H,1-2H3,(H2,26,27,29).

What are the key properties of SBDWNJUPCVOJLH-UHFFFAOYSA-N?

SBDWNJUPCVOJLH-UHFFFAOYSA-N has a molecular weight of 451.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for SBDWNJUPCVOJLH-UHFFFAOYSA-N is sourced from PubChem (CID 51041147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 51041147 — identifiers, structure, computed properties (public domain)

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