2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide

C32H23N3O6S2 — CID 11192791

IUPAC2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide
SMILESO=C(N/C=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C32H23N3O6S2/c36-31(28-22-35(30-18-10-8-16-27(28)30)43(40,41)25-13-5-2-6-14-25)32(37)33-20-19-23-21-34(29-17-9-7-15-26(23)29)42(38,39)24-11-3-1-4-12-24/h1-22H,(H,33,37)/b20-19+
InChIKeyKITCVFPSORVLDV-FMQUCBEESA-N
MW609.69 g/mol
LogP5.04
Rot. Bonds8

About 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide

2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide (PubChem CID 11192791) has the molecular formula C32H23N3O6S2 and a molecular weight of 609.69 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide
PubChem CID11192791
Molecular FormulaC32H23N3O6S2
Molecular Weight609.69 g/mol
Exact Mass609.10
IUPAC Name2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide
SMILESO=C(N/C=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C32H23N3O6S2/c36-31(28-22-35(30-18-10-8-16-27(28)30)43(40,41)25-13-5-2-6-14-25)32(37)33-20-19-23-21-34(29-17-9-7-15-26(23)29)42(38,39)24-11-3-1-4-12-24/h1-22H,(H,33,37)/b20-19+
InChIKeyKITCVFPSORVLDV-FMQUCBEESA-N
XLogP5.04
TPSA124.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.69
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide 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

N-(benzenesulfonyl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507844
1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
CID 848535
[1-(phenylsulfonyl)-1H-indol-2-yl](2-pyridinyl)methanone
CID 986167
N-[4-(4,5-dioxo-3-phenylindol-1-yl)sulfonylphenyl]acetamide
CID 137655418
2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 5196982
2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 7117332
(1-Ethanesulfonyl-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10001117
[1-(Propane-2-sulfonyl)-1H-indol-3-yl]-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10364545
N-[[(18S)-3,5-dioxo-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaen-18-yl]methyl]benzenesulfonamide
CID 10650891
2-(1,2-dimethyl-1H-indol-3-yl)-2-oxo-N-(4-sulfamoylphenethyl)acetamide
CID 15944802
2-(1-(2-(diethylamino)-2-oxoethyl)-1H-indol-3-yl)-2-oxo-N-(4-sulfamoylphenethyl)acetamide
CID 16194835
1-(2-Benzyl-pyrrolidin-1-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione
CID 44278620

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide (CID 11192791) is 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide is O=C(N/C=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide?
The InChIKey is KITCVFPSORVLDV-FMQUCBEESA-N. The full InChI is InChI=1S/C32H23N3O6S2/c36-31(28-22-35(30-18-10-8-16-27(28)30)43(40,41)25-13-5-2-6-14-25)32(37)33-20-19-23-21-34(29-17-9-7-15-26(23)29)42(38,39)24-11-3-1-4-12-24/h1-22H,(H,33,37)/b20-19+.
What are the key properties of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide?
2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide has a molecular weight of 609.69 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)indol-3-yl]-N-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-2-oxoacetamide is sourced from PubChem (CID 11192791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).