1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea

C17H18ClN3O2S — CID 10570731

IUPAC1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea
SMILESCNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18ClN3O2S/c1-19-24(23,16-10-5-12-3-2-4-13(12)11-16)21-17(22)20-15-8-6-14(18)7-9-15/h5-11H,2-4H2,1H3,(H2,19,20,21,22,23)
InChIKeyCRQMEYFYUWHDBW-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.02
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea

1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea (PubChem CID 10570731) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea
PubChem CID10570731
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea
SMILESCNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18ClN3O2S/c1-19-24(23,16-10-5-12-3-2-4-13(12)11-16)21-17(22)20-15-8-6-14(18)7-9-15/h5-11H,2-4H2,1H3,(H2,19,20,21,22,23)
InChIKeyCRQMEYFYUWHDBW-UHFFFAOYSA-N
XLogP4.02
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea with MolForge

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Related Compounds

Sulofenur
CID 60417
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-[Amino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 9818654
1-[amino-(2,3-dihydro-1H-inden-5-yl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10760272
5-chloro-3-(3,4-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 46232781
LY 181984
CID 160725
1-(4-Chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 10640711
1-[Amino-(3,4-dimethylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10019988
1-[Amino-(3,5-dimethylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10520951
1-(4-Chlorophenyl)-3-[(3,4-dimethylphenyl)-(methylamino)-oxo-lambda6-sulfanylidene]urea
CID 10545908
1-[Butylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10571795
1-[Amino-oxo-(3,4,5-trimethylphenyl)-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10712936

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea (CID 10570731) is 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea is CNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea?
The InChIKey is CRQMEYFYUWHDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-19-24(23,16-10-5-12-3-2-4-13(12)11-16)21-17(22)20-15-8-6-14(18)7-9-15/h5-11H,2-4H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea?
1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea has a molecular weight of 363.87 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea is sourced from PubChem (CID 10570731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).