1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C17H17FN2O2S — CID 111475405

IUPAC1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCSc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1F
InChIInChI=1S/C17H17FN2O2S/c1-23-15-7-6-11(9-13(15)18)19-17(22)20-16-12-5-3-2-4-10(12)8-14(16)21/h2-7,9,14,16,21H,8H2,1H3,(H2,19,20,22)/t14-,16+/m0/s1
InChIKeyRDBVHJRONHAPIL-GOEBONIOSA-N
MW332.40 g/mol
LogP3.33
Rot. Bonds3

About 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 111475405) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID111475405
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCSc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1F
InChIInChI=1S/C17H17FN2O2S/c1-23-15-7-6-11(9-13(15)18)19-17(22)20-16-12-5-3-2-4-10(12)8-14(16)21/h2-7,9,14,16,21H,8H2,1H3,(H2,19,20,22)/t14-,16+/m0/s1
InChIKeyRDBVHJRONHAPIL-GOEBONIOSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60591170
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
CID 136532845
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 75920789
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527654
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 75523399
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 111475405) is 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CSc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is RDBVHJRONHAPIL-GOEBONIOSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-23-15-7-6-11(9-13(15)18)19-17(22)20-16-12-5-3-2-4-10(12)8-14(16)21/h2-7,9,14,16,21H,8H2,1H3,(H2,19,20,22)/t14-,16+/m0/s1.
What are the key properties of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 332.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 111475405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).