[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone

C25H30N2O2S — CID 18694427

IUPAC[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone
SMILESCN1CCCC1Cc1cn(C(=O)c2cccs2)c2ccc(OC3CCCCC3)cc12
InChIInChI=1S/C25H30N2O2S/c1-26-13-5-7-19(26)15-18-17-27(25(28)24-10-6-14-30-24)23-12-11-21(16-22(18)23)29-20-8-3-2-4-9-20/h6,10-12,14,16-17,19-20H,2-5,7-9,13,15H2,1H3
InChIKeyALJZQVSLCCVQSK-UHFFFAOYSA-N
MW422.59 g/mol
LogP5.74
Rot. Bonds5

About [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone

[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone (PubChem CID 18694427) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone
PubChem CID18694427
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone
SMILESCN1CCCC1Cc1cn(C(=O)c2cccs2)c2ccc(OC3CCCCC3)cc12
InChIInChI=1S/C25H30N2O2S/c1-26-13-5-7-19(26)15-18-17-27(25(28)24-10-6-14-30-24)23-12-11-21(16-22(18)23)29-20-8-3-2-4-9-20/h6,10-12,14,16-17,19-20H,2-5,7-9,13,15H2,1H3
InChIKeyALJZQVSLCCVQSK-UHFFFAOYSA-N
XLogP5.74
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone 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

[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-(4-methoxyphenyl)methanone
CID 54178530
1,3-benzodioxol-5-yl-[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]methanone
CID 18694432
1-[5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]ethanone
CID 59095980
[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29348207
N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide
CID 54448608
tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate
CID 22859554
4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
CID 6536354
N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917
4-[[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]thiane 1-oxide
CID 177026467
N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42949315

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone (CID 18694427) is [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone is CN1CCCC1Cc1cn(C(=O)c2cccs2)c2ccc(OC3CCCCC3)cc12.
What is the InChIKey of [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ALJZQVSLCCVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-26-13-5-7-19(26)15-18-17-27(25(28)24-10-6-14-30-24)23-12-11-21(16-22(18)23)29-20-8-3-2-4-9-20/h6,10-12,14,16-17,19-20H,2-5,7-9,13,15H2,1H3.
What are the key properties of [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone?
[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 422.59 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 18694427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).