1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea

C20H19N3O3S — CID 42878494

IUPAC1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)Nc2ccc(SC)cc2)cn1
InChIInChI=1S/C20H19N3O3S/c1-25-17-5-3-4-6-18(17)26-19-12-9-15(13-21-19)23-20(24)22-14-7-10-16(27-2)11-8-14/h3-13H,1-2H3,(H2,22,23,24)
InChIKeyLVYWNSKGRODFSH-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.25
Rot. Bonds6

About 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea

1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea (PubChem CID 42878494) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
PubChem CID42878494
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)Nc2ccc(SC)cc2)cn1
InChIInChI=1S/C20H19N3O3S/c1-25-17-5-3-4-6-18(17)26-19-12-9-15(13-21-19)23-20(24)22-14-7-10-16(27-2)11-8-14/h3-13H,1-2H3,(H2,22,23,24)
InChIKeyLVYWNSKGRODFSH-UHFFFAOYSA-N
XLogP5.25
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878489
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
CID 125162716
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
CID 42878509
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 131907832
6-(2-methoxyphenoxy)pyridin-3-ol
CID 91903152
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118763888
3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
CID 131946490
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea (CID 42878494) is 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea is COc1ccccc1Oc1ccc(NC(=O)Nc2ccc(SC)cc2)cn1.
What is the InChIKey of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
The InChIKey is LVYWNSKGRODFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-17-5-3-4-6-18(17)26-19-12-9-15(13-21-19)23-20(24)22-14-7-10-16(27-2)11-8-14/h3-13H,1-2H3,(H2,22,23,24).
What are the key properties of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea has a molecular weight of 381.46 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 42878494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).