6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one

C24H28Cl2N2O2S — CID 70888023

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one
SMILESCS(=O)CCN(C1CCCCC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C24H28Cl2N2O2S/c1-31(30)13-12-28(20-8-3-2-4-9-20)24(16-17-6-5-7-18(25)14-17)21-11-10-19(26)15-22(21)27-23(24)29/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3,(H,27,29)
InChIKeyJNGMOACNAZAOMA-UHFFFAOYSA-N
MW479.47 g/mol
LogP5.40
Rot. Bonds7

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one (PubChem CID 70888023) has the molecular formula C24H28Cl2N2O2S and a molecular weight of 479.47 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one
PubChem CID70888023
Molecular FormulaC24H28Cl2N2O2S
Molecular Weight479.47 g/mol
Exact Mass478.12
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one
SMILESCS(=O)CCN(C1CCCCC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C24H28Cl2N2O2S/c1-31(30)13-12-28(20-8-3-2-4-9-20)24(16-17-6-5-7-18(25)14-17)21-11-10-19(26)15-22(21)27-23(24)29/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3,(H,27,29)
InChIKeyJNGMOACNAZAOMA-UHFFFAOYSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one with MolForge

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one
CID 57479190
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cycloheptylamino]acetic acid
CID 57479159
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
CID 57479175
6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl-[2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]amino]-1H-indol-2-one
CID 24948991
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R,3R)-3-methylcyclohexyl]amino]-N-cyclobutylacetamide
CID 57479200
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-(3-methylcyclohexyl)amino]-N-cyclobutylacetamide
CID 66991784
[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate
CID 68566412
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide
CID 66992066
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-pentan-3-ylamino]-N-cyclohexylacetamide
CID 57479231
4-[[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclobutylcarbamoyl]-methylamino]piperidine-1-carboxylic acid
CID 68561960
3-[2-aminoethyl(butan-2-yl)amino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 68566776
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one (CID 70888023) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one is CS(=O)CCN(C1CCCCC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one?
The InChIKey is JNGMOACNAZAOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2S/c1-31(30)13-12-28(20-8-3-2-4-9-20)24(16-17-6-5-7-18(25)14-17)21-11-10-19(26)15-22(21)27-23(24)29/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3,(H,27,29).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one has a molecular weight of 479.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-methylsulfinylethyl)amino]-1H-indol-2-one is sourced from PubChem (CID 70888023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).