1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea

C21H17N3O2S2 — CID 122188023

IUPAC1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1
InChIInChI=1S/C21H17N3O2S2/c1-26-16-7-5-14(6-8-16)23-21(25)24-15-3-2-4-17(13-15)28-19-9-11-22-18-10-12-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
InChIKeyNGHGYPCJAAGRCQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.10
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea

1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea (PubChem CID 122188023) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
PubChem CID122188023
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC Name1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1
InChIInChI=1S/C21H17N3O2S2/c1-26-16-7-5-14(6-8-16)23-21(25)24-15-3-2-4-17(13-15)28-19-9-11-22-18-10-12-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
InChIKeyNGHGYPCJAAGRCQ-UHFFFAOYSA-N
XLogP6.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901699
2-phenyl-N-[(4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]acetamide
CID 11697050
2-Phenyl-N-(4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)acetamide
CID 11697436
N-(3-fluoro-4-(2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16041238
N1-(3-fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
CID 45488043
N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide
CID 56668325
N-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-amine
CID 73348001
1-(3-Fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea
CID 11582499
1-(2-Phenylcyclopropyl)-3-(4-thieno[3,2-b]pyridin-7-yloxyphenyl)urea
CID 11611059
N-(2-methoxyphenyl)thieno[3,2-b]pyridin-7-amine
CID 73352569
1-(4-Methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
CID 122188123
N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 24236171

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea (CID 122188023) is 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea is COc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
The InChIKey is NGHGYPCJAAGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c1-26-16-7-5-14(6-8-16)23-21(25)24-15-3-2-4-17(13-15)28-19-9-11-22-18-10-12-27-20(18)19/h2-13H,1H3,(H2,23,24,25).
What are the key properties of 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea has a molecular weight of 407.52 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea is sourced from PubChem (CID 122188023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).