1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea

C15H15FN2O2S — CID 87655528

IUPAC1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
SMILESCc1ccccc1CNC(=O)N(S)c1cccc(F)c1O
InChIInChI=1S/C15H15FN2O2S/c1-10-5-2-3-6-11(10)9-17-15(20)18(21)13-8-4-7-12(16)14(13)19/h2-8,19,21H,9H2,1H3,(H,17,20)
InChIKeyLPHXYEGDANWGRA-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea

1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea (PubChem CID 87655528) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
PubChem CID87655528
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
SMILESCc1ccccc1CNC(=O)N(S)c1cccc(F)c1O
InChIInChI=1S/C15H15FN2O2S/c1-10-5-2-3-6-11(10)9-17-15(20)18(21)13-8-4-7-12(16)14(13)19/h2-8,19,21H,9H2,1H3,(H,17,20)
InChIKeyLPHXYEGDANWGRA-UHFFFAOYSA-N
XLogP3.40
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
CID 87654928
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
1-(3-chloro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
CID 87657028
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99131913
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203339

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
The IUPAC name of 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea (CID 87655528) is 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea.
What is the SMILES notation for 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
The canonical SMILES for 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea is Cc1ccccc1CNC(=O)N(S)c1cccc(F)c1O.
What is the InChIKey of 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
The InChIKey is LPHXYEGDANWGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-5-2-3-6-11(10)9-17-15(20)18(21)13-8-4-7-12(16)14(13)19/h2-8,19,21H,9H2,1H3,(H,17,20).
What are the key properties of 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea has a molecular weight of 306.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea is sourced from PubChem (CID 87655528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).