1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea

C17H18N2OS — CID 4508008

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCc3ccccc32)c1
InChIInChI=1S/C17H18N2OS/c1-21-14-7-4-6-13(11-14)18-17(20)19-16-10-9-12-5-2-3-8-15(12)16/h2-8,11,16H,9-10H2,1H3,(H2,18,19,20)
InChIKeyBZQJYGWUJVYFAF-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea

1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 4508008) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
PubChem CID4508008
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCc3ccccc32)c1
InChIInChI=1S/C17H18N2OS/c1-21-14-7-4-6-13(11-14)18-17(20)19-16-10-9-12-5-2-3-8-15(12)16/h2-8,11,16H,9-10H2,1H3,(H2,18,19,20)
InChIKeyBZQJYGWUJVYFAF-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
3-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042817
1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47032068
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-phenylphenyl)urea
CID 3847890

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea (CID 4508008) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NC2CCc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is BZQJYGWUJVYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-21-14-7-4-6-13(11-14)18-17(20)19-16-10-9-12-5-2-3-8-15(12)16/h2-8,11,16H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 298.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 4508008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).