1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea

C15H15F2N3OS — CID 75520831

IUPAC1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCSc1c(F)cc(NC(=O)NCCc2ccccn2)cc1F
InChIInChI=1S/C15H15F2N3OS/c1-22-14-12(16)8-11(9-13(14)17)20-15(21)19-7-5-10-4-2-3-6-18-10/h2-4,6,8-9H,5,7H2,1H3,(H2,19,20,21)
InChIKeyHQGGOPAEPSZEGG-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.45
Rot. Bonds5

About 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea

1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 75520831) has the molecular formula C15H15F2N3OS and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID75520831
Molecular FormulaC15H15F2N3OS
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCSc1c(F)cc(NC(=O)NCCc2ccccn2)cc1F
InChIInChI=1S/C15H15F2N3OS/c1-22-14-12(16)8-11(9-13(14)17)20-15(21)19-7-5-10-4-2-3-6-18-10/h2-4,6,8-9H,5,7H2,1H3,(H2,19,20,21)
InChIKeyHQGGOPAEPSZEGG-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide
CID 86995548
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea (CID 75520831) is 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea is CSc1c(F)cc(NC(=O)NCCc2ccccn2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is HQGGOPAEPSZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS/c1-22-14-12(16)8-11(9-13(14)17)20-15(21)19-7-5-10-4-2-3-6-18-10/h2-4,6,8-9H,5,7H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 323.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 75520831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).