N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide

C21H25Cl2N3O3S — CID 68562696

IUPACN-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide
SMILESCC(C)(NCCNS(C)(=O)=O)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C21H25Cl2N3O3S/c1-20(2,24-9-10-25-30(3,28)29)21(13-14-5-4-6-15(22)11-14)17-8-7-16(23)12-18(17)26-19(21)27/h4-8,11-12,24-25H,9-10,13H2,1-3H3,(H,26,27)
InChIKeyFFOXULUJESDZIB-UHFFFAOYSA-N
MW470.42 g/mol
LogP3.34
Rot. Bonds8

About N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide

N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide (PubChem CID 68562696) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide
PubChem CID68562696
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC NameN-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide
SMILESCC(C)(NCCNS(C)(=O)=O)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C21H25Cl2N3O3S/c1-20(2,24-9-10-25-30(3,28)29)21(13-14-5-4-6-15(22)11-14)17-8-7-16(23)12-18(17)26-19(21)27/h4-8,11-12,24-25H,9-10,13H2,1-3H3,(H,26,27)
InChIKeyFFOXULUJESDZIB-UHFFFAOYSA-N
XLogP3.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
3-bromo-3-[(3-chlorophenyl)methyl]-6-methyl-1H-indol-2-one
CID 59703601
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
CID 24950436
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide
CID 68565850
N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one
CID 143373593
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
CID 68565540
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
CID 24950440
4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
CID 70320059
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 57479223
3-[2-aminoethyl(butan-2-yl)amino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 68566776

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide (CID 68562696) is N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide is CC(C)(NCCNS(C)(=O)=O)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide?
The InChIKey is FFOXULUJESDZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3S/c1-20(2,24-9-10-25-30(3,28)29)21(13-14-5-4-6-15(22)11-14)17-8-7-16(23)12-18(17)26-19(21)27/h4-8,11-12,24-25H,9-10,13H2,1-3H3,(H,26,27).
What are the key properties of N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide?
N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide has a molecular weight of 470.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 68562696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).