3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

C27H22ClF3N2O5S — CID 71600948

IUPAC3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCOc1ccc2c(c1)c(C)c(CCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H22ClF3N2O5S/c1-16-22-15-20(38-2)9-12-24(22)33(26(35)17-3-7-19(28)8-4-17)23(16)13-14-25(34)32-39(36,37)21-10-5-18(6-11-21)27(29,30)31/h3-12,15H,13-14H2,1-2H3,(H,32,34)
InChIKeyMYCRGXZCLQQCGH-UHFFFAOYSA-N
MW579.00 g/mol
LogP5.76
Rot. Bonds7

About 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 71600948) has the molecular formula C27H22ClF3N2O5S and a molecular weight of 579.00 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID71600948
Molecular FormulaC27H22ClF3N2O5S
Molecular Weight579.00 g/mol
Exact Mass578.09
IUPAC Name3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCOc1ccc2c(c1)c(C)c(CCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H22ClF3N2O5S/c1-16-22-15-20(38-2)9-12-24(22)33(26(35)17-3-7-19(28)8-4-17)23(16)13-14-25(34)32-39(36,37)21-10-5-18(6-11-21)27(29,30)31/h3-12,15H,13-14H2,1-2H3,(H,32,34)
InChIKeyMYCRGXZCLQQCGH-UHFFFAOYSA-N
XLogP5.76
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.00
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide 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]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 71600948) is 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is COc1ccc2c(c1)c(C)c(CCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is MYCRGXZCLQQCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF3N2O5S/c1-16-22-15-20(38-2)9-12-24(22)33(26(35)17-3-7-19(28)8-4-17)23(16)13-14-25(34)32-39(36,37)21-10-5-18(6-11-21)27(29,30)31/h3-12,15H,13-14H2,1-2H3,(H,32,34).
What are the key properties of 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 579.00 g/mol, XLogP of 5.76, 7 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]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 71600948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).