3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide

C22H25N3O3S — CID 11350427

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)
InChIKeyUCPWBEUDVDWSCD-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.46
Rot. Bonds5

About 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide

3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11350427) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide
PubChem CID11350427
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)
InChIKeyUCPWBEUDVDWSCD-UHFFFAOYSA-N
XLogP3.46
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide 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-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide (CID 11350427) is 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide is CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is UCPWBEUDVDWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26).
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide?
3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11350427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).