N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C20H20N4OS2 — CID 1046062

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESC=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1
InChIInChI=1S/C20H20N4OS2/c1-2-10-24-19(17-7-4-11-26-17)22-23-20(24)27-13-18(25)21-16-9-8-14-5-3-6-15(14)12-16/h2,4,7-9,11-12H,1,3,5-6,10,13H2,(H,21,25)
InChIKeySDAOQHDIJTZAHN-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.41
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1046062) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1046062
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESC=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1
InChIInChI=1S/C20H20N4OS2/c1-2-10-24-19(17-7-4-11-26-17)22-23-20(24)27-13-18(25)21-16-9-8-14-5-3-6-15(14)12-16/h2,4,7-9,11-12H,1,3,5-6,10,13H2,(H,21,25)
InChIKeySDAOQHDIJTZAHN-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide 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

2-[[4-(4-Methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 974211
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
CID 6866762
N1-[4-phenyl-5-(6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-thienyl]-acetamide
CID 44435283
N-(4-ethylphenyl)-2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 1852895
1-({[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)-1,2,3,4-tetrahydroquinoline
CID 2213124
2-((4-ET-5-(2-Thienyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1212914
2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-F-PH)acetamide
CID 535375
2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide
CID 1046120
2-{[4-methyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
CID 848410
1-(2,3-Dihydroindol-1-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 989299
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7421716
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16331714

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1046062) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SDAOQHDIJTZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-2-10-24-19(17-7-4-11-26-17)22-23-20(24)27-13-18(25)21-16-9-8-14-5-3-6-15(14)12-16/h2,4,7-9,11-12H,1,3,5-6,10,13H2,(H,21,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1046062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).