2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

C33H43N3O4S — CID 58923420

IUPAC2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C33H43N3O4S/c1-4-41(39,40)23-30(37)26-15-16-28-29(21-26)36(22-31(38)35-19-17-27(18-20-35)34(2)3)33(25-13-9-6-10-14-25)32(28)24-11-7-5-8-12-24/h6,9-10,13-16,21,24,27H,4-5,7-8,11-12,17-20,22-23H2,1-3H3
InChIKeyHIYXPJUFWOIVCX-UHFFFAOYSA-N
MW577.79 g/mol
LogP5.53
Rot. Bonds9

About 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (PubChem CID 58923420) has the molecular formula C33H43N3O4S and a molecular weight of 577.79 g/mol. Its IUPAC name is 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
PubChem CID58923420
Molecular FormulaC33H43N3O4S
Molecular Weight577.79 g/mol
Exact Mass577.30
IUPAC Name2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C33H43N3O4S/c1-4-41(39,40)23-30(37)26-15-16-28-29(21-26)36(22-31(38)35-19-17-27(18-20-35)34(2)3)33(25-13-9-6-10-14-25)32(28)24-11-7-5-8-12-24/h6,9-10,13-16,21,24,27H,4-5,7-8,11-12,17-20,22-23H2,1-3H3
InChIKeyHIYXPJUFWOIVCX-UHFFFAOYSA-N
XLogP5.53
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.79
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone 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 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (CID 58923420) is 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone is CCS(=O)(=O)CC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The InChIKey is HIYXPJUFWOIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O4S/c1-4-41(39,40)23-30(37)26-15-16-28-29(21-26)36(22-31(38)35-19-17-27(18-20-35)34(2)3)33(25-13-9-6-10-14-25)32(28)24-11-7-5-8-12-24/h6,9-10,13-16,21,24,27H,4-5,7-8,11-12,17-20,22-23H2,1-3H3.
What are the key properties of 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone has a molecular weight of 577.79 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 58923420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).