N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

C17H25N5O2S2 — CID 43043697

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H25N5O2S2/c1-2-4-15-19-20-17(25)22(15)12-16(23)18-11-13(14-5-3-10-26-14)21-6-8-24-9-7-21/h3,5,10,13H,2,4,6-9,11-12H2,1H3,(H,18,23)(H,20,25)
InChIKeyLRCFQMADJCTFLT-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.14
Rot. Bonds8

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 43043697) has the molecular formula C17H25N5O2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID43043697
Molecular FormulaC17H25N5O2S2
Molecular Weight395.55 g/mol
Exact Mass395.14
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCc1n[nH]c(=S)n1CC(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H25N5O2S2/c1-2-4-15-19-20-17(25)22(15)12-16(23)18-11-13(14-5-3-10-26-14)21-6-8-24-9-7-21/h3,5,10,13H,2,4,6-9,11-12H2,1H3,(H,18,23)(H,20,25)
InChIKeyLRCFQMADJCTFLT-UHFFFAOYSA-N
XLogP2.14
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 42919324
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 18148622
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 24553182
2-(4-ethylphenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 34951723
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
N-[2-(dimethylamino)-2-phenylethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 51250905
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
N-[(2S)-2-hydroxy-3,3-dimethylbutyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 99634040
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
2-(4-acetylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17405367
4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
CID 81084360
2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47122715

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide (CID 43043697) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is CCCc1n[nH]c(=S)n1CC(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is LRCFQMADJCTFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S2/c1-2-4-15-19-20-17(25)22(15)12-16(23)18-11-13(14-5-3-10-26-14)21-6-8-24-9-7-21/h3,5,10,13H,2,4,6-9,11-12H2,1H3,(H,18,23)(H,20,25).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 43043697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).