N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide

C25H31N3O5S — CID 20966115

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-27-13-9-20-17-21(5-6-22(20)27)34(30,31)28-14-10-19(11-15-28)25(29)26-12-8-18-4-7-23(32-2)24(16-18)33-3/h4-7,9,13,16-17,19H,8,10-12,14-15H2,1-3H3,(H,26,29)
InChIKeyYUTCJLFMMNXUJW-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 20966115) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID20966115
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-27-13-9-20-17-21(5-6-22(20)27)34(30,31)28-14-10-19(11-15-28)25(29)26-12-8-18-4-7-23(32-2)24(16-18)33-3/h4-7,9,13,16-17,19H,8,10-12,14-15H2,1-3H3,(H,26,29)
InChIKeyYUTCJLFMMNXUJW-UHFFFAOYSA-N
XLogP2.96
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-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 N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide (CID 20966115) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YUTCJLFMMNXUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-27-13-9-20-17-21(5-6-22(20)27)34(30,31)28-14-10-19(11-15-28)25(29)26-12-8-18-4-7-23(32-2)24(16-18)33-3/h4-7,9,13,16-17,19H,8,10-12,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20966115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).