2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide

C19H21N5OS2 — CID 71006547

IUPAC2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1cccs1
InChIInChI=1S/C19H21N5OS2/c1-3-24-18(15-8-5-11-26-15)21-22-19(24)27-12-16(25)20-14-7-4-6-13-9-10-23(2)17(13)14/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,25)
InChIKeyOGWBKFNOZBSCFM-UHFFFAOYSA-N
MW399.55 g/mol
LogP3.75
Rot. Bonds6

About 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide (PubChem CID 71006547) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
PubChem CID71006547
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC Name2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1cccs1
InChIInChI=1S/C19H21N5OS2/c1-3-24-18(15-8-5-11-26-15)21-22-19(24)27-12-16(25)20-14-7-4-6-13-9-10-23(2)17(13)14/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,25)
InChIKeyOGWBKFNOZBSCFM-UHFFFAOYSA-N
XLogP3.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)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-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
CID 71006391
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 3369409
N-(2-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1155258
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55461034
N-[4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 1442388
N-[3-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 1442408
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 997661
2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2562636
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 7181824
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112764736
N-(5-acetamido-2-methoxyphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 26243108
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2448165

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide?
The IUPAC name of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide (CID 71006547) is 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide?
The canonical SMILES for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide is CCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide?
The InChIKey is OGWBKFNOZBSCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-3-24-18(15-8-5-11-26-15)21-22-19(24)27-12-16(25)20-14-7-4-6-13-9-10-23(2)17(13)14/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,25).
What are the key properties of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide?
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide has a molecular weight of 399.55 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide is sourced from PubChem (CID 71006547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).