BWBGNAWDQPVAFL-AWEZNQCLSA-N

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

C₂₄H₂₃N₃O₄S₂ — CID 59990783

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

IUPAC6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide

SMILESCNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc12

InChIInChI=1S/C24H23N3O4S2/c1-13-21(23(29)25-2)16-6-5-15(10-19(16)32-13)31-18-7-8-26-17-11-20(33-22(17)18)24(30)27-9-3-4-14(27)12-28/h5-8,10-11,14,28H,3-4,9,12H2,1-2H3,(H,25,29)/t14-/m0/s1

InChIKeyBWBGNAWDQPVAFL-AWEZNQCLSA-N

MW481.60 g/mol

LogP4.57

Rot. Bonds5

About BWBGNAWDQPVAFL-AWEZNQCLSA-N

BWBGNAWDQPVAFL-AWEZNQCLSA-N (PubChem CID 59990783) has the molecular formula C₂₄H₂₃N₃O₄S₂ and a molecular weight of 481.60 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name	BWBGNAWDQPVAFL-AWEZNQCLSA-N
PubChem CID	59990783
Molecular Formula	C₂₄H₂₃N₃O₄S₂
Molecular Weight	481.60 g/mol
Exact Mass	481.11
IUPAC Name	6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide
SMILES	CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc12
InChI	InChI=1S/C24H23N3O4S2/c1-13-21(23(29)25-2)16-6-5-15(10-19(16)32-13)31-18-7-8-26-17-11-20(33-22(17)18)24(30)27-9-3-4-14(27)12-28/h5-8,10-11,14,28H,3-4,9,12H2,1-2H3,(H,25,29)/t14-/m0/s1
InChIKey	BWBGNAWDQPVAFL-AWEZNQCLSA-N
XLogP	4.57
TPSA	91.76 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of BWBGNAWDQPVAFL-AWEZNQCLSA-N?

The IUPAC name of BWBGNAWDQPVAFL-AWEZNQCLSA-N (CID 59990783) is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide.

What is the SMILES notation for BWBGNAWDQPVAFL-AWEZNQCLSA-N?

The canonical SMILES for BWBGNAWDQPVAFL-AWEZNQCLSA-N is CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc12.

What is the InChIKey of BWBGNAWDQPVAFL-AWEZNQCLSA-N?

The InChIKey is BWBGNAWDQPVAFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-13-21(23(29)25-2)16-6-5-15(10-19(16)32-13)31-18-7-8-26-17-11-20(33-22(17)18)24(30)27-9-3-4-14(27)12-28/h5-8,10-11,14,28H,3-4,9,12H2,1-2H3,(H,25,29)/t14-/m0/s1.

What are the key properties of BWBGNAWDQPVAFL-AWEZNQCLSA-N?

BWBGNAWDQPVAFL-AWEZNQCLSA-N has a molecular weight of 481.60 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for BWBGNAWDQPVAFL-AWEZNQCLSA-N is sourced from PubChem (CID 59990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 59990783 — identifiers, structure, computed properties (public domain)

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