N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

C20H23N5OS — CID 24567690

IUPACN-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccncc2)n1CC)c1ccccc1C
InChIInChI=1S/C20H23N5OS/c1-4-24(17-9-7-6-8-15(17)3)18(26)14-27-20-23-22-19(25(20)5-2)16-10-12-21-13-11-16/h6-13H,4-5,14H2,1-3H3
InChIKeyBNNZVUAPUJQQPY-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.81
Rot. Bonds7

About N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 24567690) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID24567690
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccncc2)n1CC)c1ccccc1C
InChIInChI=1S/C20H23N5OS/c1-4-24(17-9-7-6-8-15(17)3)18(26)14-27-20-23-22-19(25(20)5-2)16-10-12-21-13-11-16/h6-13H,4-5,14H2,1-3H3
InChIKeyBNNZVUAPUJQQPY-UHFFFAOYSA-N
XLogP3.81
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide with MolForge

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Related Compounds

N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7886808
N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071679
methyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 3149078
2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-methylacetamide
CID 8883473
N-ethyl-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 137058488
N-ethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 16516447
(NE)-N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethylidene]hydroxylamine
CID 165437392
N-carbamoyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2618664
N-ethyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2586522
N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 7625453
3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methoxy-N-methylpropanamide
CID 100753435
N-ethyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 2499971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 24567690) is N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide is CCN(C(=O)CSc1nnc(-c2ccncc2)n1CC)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is BNNZVUAPUJQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-4-24(17-9-7-6-8-15(17)3)18(26)14-27-20-23-22-19(25(20)5-2)16-10-12-21-13-11-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 381.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 24567690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).