3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide

C22H23ClN2O5S — CID 71600819

IUPAC3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide
SMILESCOc1ccc2c(c1)c(C)c(CC(C)C(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5S/c1-13(21(26)24-31(4,28)29)11-20-14(2)18-12-17(30-3)9-10-19(18)25(20)22(27)15-5-7-16(23)8-6-15/h5-10,12-13H,11H2,1-4H3,(H,24,26)
InChIKeyMIVOEOBSMBLJAZ-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.55
Rot. Bonds6

About 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide

3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide (PubChem CID 71600819) has the molecular formula C22H23ClN2O5S and a molecular weight of 462.96 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide
PubChem CID71600819
Molecular FormulaC22H23ClN2O5S
Molecular Weight462.96 g/mol
Exact Mass462.10
IUPAC Name3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide
SMILESCOc1ccc2c(c1)c(C)c(CC(C)C(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5S/c1-13(21(26)24-31(4,28)29)11-20-14(2)18-12-17(30-3)9-10-19(18)25(20)22(27)15-5-7-16(23)8-6-15/h5-10,12-13H,11H2,1-4H3,(H,24,26)
InChIKeyMIVOEOBSMBLJAZ-UHFFFAOYSA-N
XLogP3.55
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide?
The IUPAC name of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide (CID 71600819) is 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide is COc1ccc2c(c1)c(C)c(CC(C)C(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide?
The InChIKey is MIVOEOBSMBLJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5S/c1-13(21(26)24-31(4,28)29)11-20-14(2)18-12-17(30-3)9-10-19(18)25(20)22(27)15-5-7-16(23)8-6-15/h5-10,12-13H,11H2,1-4H3,(H,24,26).
What are the key properties of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide?
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide has a molecular weight of 462.96 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 71600819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).