(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide

C20H21NO2S — CID 142730306

IUPAC(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide
SMILESCCCCNC(=O)C1=C/C(=C\c2cccs2)c2ccc(OC)cc21
InChIInChI=1S/C20H21NO2S/c1-3-4-9-21-20(22)19-12-14(11-16-6-5-10-24-16)17-8-7-15(23-2)13-18(17)19/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)/b14-11+
InChIKeyQKUJMZONGVPAMP-SDNWHVSQSA-N
MW339.46 g/mol
LogP4.61
Rot. Bonds6

About (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide

(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide (PubChem CID 142730306) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide
PubChem CID142730306
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide
SMILESCCCCNC(=O)C1=C/C(=C\c2cccs2)c2ccc(OC)cc21
InChIInChI=1S/C20H21NO2S/c1-3-4-9-21-20(22)19-12-14(11-16-6-5-10-24-16)17-8-7-15(23-2)13-18(17)19/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)/b14-11+
InChIKeyQKUJMZONGVPAMP-SDNWHVSQSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-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

N-[(Z)-3-(butylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methoxybenzamide
CID 100723259
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
(3E)-5-(2,4-dimethoxyphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
CID 6509321
3-methoxy-N-tridecylbenzamide
CID 139819898
4-methoxy-N-pentylbenzamide
CID 3113360
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)-1,2-dihydrocinnoline-3-carboxamide
CID 143493536
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide
CID 611917
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689

Frequently Asked Questions

What is the IUPAC name of (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide?
The IUPAC name of (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide (CID 142730306) is (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide.
What is the SMILES notation for (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide?
The canonical SMILES for (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide is CCCCNC(=O)C1=C/C(=C\c2cccs2)c2ccc(OC)cc21.
What is the InChIKey of (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide?
The InChIKey is QKUJMZONGVPAMP-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-3-4-9-21-20(22)19-12-14(11-16-6-5-10-24-16)17-8-7-15(23-2)13-18(17)19/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)/b14-11+.
What are the key properties of (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide?
(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide is sourced from PubChem (CID 142730306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).