1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea

C18H23N3O2S — CID 118793922

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
SMILESCOc1c(C)cnc(CN(C)C(=O)Nc2cccc(SC)c2)c1C
InChIInChI=1S/C18H23N3O2S/c1-12-10-19-16(13(2)17(12)23-4)11-21(3)18(22)20-14-7-6-8-15(9-14)24-5/h6-10H,11H2,1-5H3,(H,20,22)
InChIKeyNHDBDFNZTBGORA-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.09
Rot. Bonds5

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea (PubChem CID 118793922) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
PubChem CID118793922
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
SMILESCOc1c(C)cnc(CN(C)C(=O)Nc2cccc(SC)c2)c1C
InChIInChI=1S/C18H23N3O2S/c1-12-10-19-16(13(2)17(12)23-4)11-21(3)18(22)20-14-7-6-8-15(9-14)24-5/h6-10H,11H2,1-5H3,(H,20,22)
InChIKeyNHDBDFNZTBGORA-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylsulfanylaniline
CID 28568369
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 72919468
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
4-[methyl-[(3-methylsulfanylphenyl)carbamoyl]amino]butanoic acid
CID 43329736
3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
CID 126788556
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 146085594
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
3-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 9402778
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea (CID 118793922) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea is COc1c(C)cnc(CN(C)C(=O)Nc2cccc(SC)c2)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea?
The InChIKey is NHDBDFNZTBGORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-10-19-16(13(2)17(12)23-4)11-21(3)18(22)20-14-7-6-8-15(9-14)24-5/h6-10H,11H2,1-5H3,(H,20,22).
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea has a molecular weight of 345.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 118793922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).