(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

C23H18Cl2N2O4S2 — CID 46885602

IUPAC(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESCC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C(=O)NS(=O)(=O)c3cccs3)cccc21
InChIInChI=1S/C23H18Cl2N2O4S2/c1-14-18-5-2-4-15(8-10-20(28)26-33(30,31)21-6-3-11-32-21)22(18)27(23(14)29)13-16-7-9-17(24)12-19(16)25/h2-12,14H,13H2,1H3,(H,26,28)/b10-8+
InChIKeyGNMUUZLIIOWGJN-CSKARUKUSA-N
MW521.45 g/mol
LogP5.22
Rot. Bonds6

About (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 46885602) has the molecular formula C23H18Cl2N2O4S2 and a molecular weight of 521.45 g/mol. Its IUPAC name is (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID46885602
Molecular FormulaC23H18Cl2N2O4S2
Molecular Weight521.45 g/mol
Exact Mass520.01
IUPAC Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESCC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C(=O)NS(=O)(=O)c3cccs3)cccc21
InChIInChI=1S/C23H18Cl2N2O4S2/c1-14-18-5-2-4-15(8-10-20(28)26-33(30,31)21-6-3-11-32-21)22(18)27(23(14)29)13-16-7-9-17(24)12-19(16)25/h2-12,14H,13H2,1H3,(H,26,28)/b10-8+
InChIKeyGNMUUZLIIOWGJN-CSKARUKUSA-N
XLogP5.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide 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-(3-chlorophenylsulfonyl)-3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885343
3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885384
3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885385
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885539
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885604
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(3,4-dichlorophenylsulfonyl)acrylamide
CID 46885649
N-(3-chlorophenylsulfonyl)-3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)acrylamide
CID 46885650
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885651
5-chloro-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}thiophene-2-sulfonamide
CID 16030927
5-Chloro-N-{[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}thiophene-2-sulfonamide
CID 16030959
3-(1-(2,4-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(4,5-dichlorothiophen-2-ylsulfonyl)acrylamide
CID 44571244
N-(5-chlorothiophen-2-ylsulfonyl)-3-(1-(2,4-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)acrylamide
CID 44571292

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (CID 46885602) is (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C(=O)NS(=O)(=O)c3cccs3)cccc21.
What is the InChIKey of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is GNMUUZLIIOWGJN-CSKARUKUSA-N. The full InChI is InChI=1S/C23H18Cl2N2O4S2/c1-14-18-5-2-4-15(8-10-20(28)26-33(30,31)21-6-3-11-32-21)22(18)27(23(14)29)13-16-7-9-17(24)12-19(16)25/h2-12,14H,13H2,1H3,(H,26,28)/b10-8+.
What are the key properties of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 521.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 46885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).