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

C25H31N3O5S — CID 20966264

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-27-14-11-19-16-21(7-8-22(19)27)34(30,31)28-13-4-5-20(17-28)25(29)26-12-10-18-6-9-23(32-2)24(15-18)33-3/h6-9,11,14-16,20H,4-5,10,12-13,17H2,1-3H3,(H,26,29)
InChIKeyQXEPCLPPESIRDR-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.96
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20966264) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20966264
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-27-14-11-19-16-21(7-8-22(19)27)34(30,31)28-13-4-5-20(17-28)25(29)26-12-10-18-6-9-23(32-2)24(15-18)33-3/h6-9,11,14-16,20H,4-5,10,12-13,17H2,1-3H3,(H,26,29)
InChIKeyQXEPCLPPESIRDR-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-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid amide
CID 10000020
N-[3-(5-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 16113331
N-[2-(6-Aminomethyl-1-methyl-1H-indol-3-yl)-2-benzo[1,3]dioxol-5-yl-acetyl]-4-isopropyl-benzenesulfonamide
CID 22467229
(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 44335875
(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 44335885
N-isobutyl-3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-2-oxoindoline-5-sulfonamide
CID 44336163
N-(4-{[2-(5-methoxy-1H-indol-3-yl)ethyl]sulfamoyl}phenyl)acetamide
CID 3161294
N-(1,3-benzodioxol-5-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5309802
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(quinoline-8-sulfonyl)piperidine-4-carboxamide
CID 16001252
N-[(4-Methoxyphenyl)methyl]-1-[(1-methyl-1H-indol-5-YL)sulfonyl]piperidine-4-carboxamide
CID 16009964
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-YL}propanamide
CID 16019185
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-YL}acetamide
CID 16021453

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 20966264) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QXEPCLPPESIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-27-14-11-19-16-21(7-8-22(19)27)34(30,31)28-13-4-5-20(17-28)25(29)26-12-10-18-6-9-23(32-2)24(15-18)33-3/h6-9,11,14-16,20H,4-5,10,12-13,17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 20966264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).