1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea

C18H17N3O2S — CID 91625691

IUPAC1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-17-5-3-2-4-15(17)21-18(22)20-11-13-6-8-19-16(10-13)14-7-9-24-12-14/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyKQYKOWZAYVBQJM-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.14
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea

1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea (PubChem CID 91625691) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
PubChem CID91625691
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-17-5-3-2-4-15(17)21-18(22)20-11-13-6-8-19-16(10-13)14-7-9-24-12-14/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyKQYKOWZAYVBQJM-UHFFFAOYSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 100744368
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63747084
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea (CID 91625691) is 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea is COc1ccccc1NC(=O)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea?
The InChIKey is KQYKOWZAYVBQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-17-5-3-2-4-15(17)21-18(22)20-11-13-6-8-19-16(10-13)14-7-9-24-12-14/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea?
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea has a molecular weight of 339.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 91625691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).