[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

C20H20ClN3O6S — CID 55934781

IUPAC[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H20ClN3O6S/c1-12(23-19(26)15-4-2-3-5-16(15)21)20(27)30-11-18(25)24-9-8-13-10-14(31(22,28)29)6-7-17(13)24/h2-7,10,12H,8-9,11H2,1H3,(H,23,26)(H2,22,28,29)/t12-/m0/s1
InChIKeyIANSRCVJJOADMP-LBPRGKRZSA-N
MW465.92 g/mol
LogP1.24
Rot. Bonds6

About [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 55934781) has the molecular formula C20H20ClN3O6S and a molecular weight of 465.92 g/mol. Its IUPAC name is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID55934781
Molecular FormulaC20H20ClN3O6S
Molecular Weight465.92 g/mol
Exact Mass465.08
IUPAC Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H20ClN3O6S/c1-12(23-19(26)15-4-2-3-5-16(15)21)20(27)30-11-18(25)24-9-8-13-10-14(31(22,28)29)6-7-17(13)24/h2-7,10,12H,8-9,11H2,1H3,(H,23,26)(H2,22,28,29)/t12-/m0/s1
InChIKeyIANSRCVJJOADMP-LBPRGKRZSA-N
XLogP1.24
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55934456
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55306945
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
CID 27309776
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307063

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate (CID 55934781) is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is IANSRCVJJOADMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20ClN3O6S/c1-12(23-19(26)15-4-2-3-5-16(15)21)20(27)30-11-18(25)24-9-8-13-10-14(31(22,28)29)6-7-17(13)24/h2-7,10,12H,8-9,11H2,1H3,(H,23,26)(H2,22,28,29)/t12-/m0/s1.
What are the key properties of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 465.92 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 55934781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).