N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H20N4O3S — CID 2460456

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CSc3nncn3C)cc2)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-25-15-8-10-17(11-9-15)26-16-6-4-14(5-7-16)21-18(24)12-27-19-22-20-13-23(19)2/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyACXAGFLTZWSUNC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.74
Rot. Bonds8

About N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2460456) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2460456
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CSc3nncn3C)cc2)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-25-15-8-10-17(11-9-15)26-16-6-4-14(5-7-16)21-18(24)12-27-19-22-20-13-23(19)2/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyACXAGFLTZWSUNC-UHFFFAOYSA-N
XLogP3.74
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 707638
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343308
N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2352685
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573256
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(4-Benzyloxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649645
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-ethoxy-phenyl)-acetamide
CID 653782

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2460456) is N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCOc1ccc(Oc2ccc(NC(=O)CSc3nncn3C)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ACXAGFLTZWSUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-25-15-8-10-17(11-9-15)26-16-6-4-14(5-7-16)21-18(24)12-27-19-22-20-13-23(19)2/h4-11,13H,3,12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2460456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).