N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H22N4O2S2 — CID 16606041

IUPACN-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1
InChIInChI=1S/C24H22N4O2S2/c1-2-30-20-13-7-6-12-19(20)25-23(29)22(17-9-4-3-5-10-17)32-24-26-21(27-28-24)15-14-18-11-8-16-31-18/h3-16,22H,2H2,1H3,(H,25,29)(H,26,27,28)/b15-14+
InChIKeyPLOWKMWKEGAJNT-CCEZHUSRSA-N
MW462.60 g/mol
LogP5.91
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 16606041) has the molecular formula C24H22N4O2S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID16606041
Molecular FormulaC24H22N4O2S2
Molecular Weight462.60 g/mol
Exact Mass462.12
IUPAC NameN-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1
InChIInChI=1S/C24H22N4O2S2/c1-2-30-20-13-7-6-12-19(20)25-23(29)22(17-9-4-3-5-10-17)32-24-26-21(27-28-24)15-14-18-11-8-16-31-18/h3-16,22H,2H2,1H3,(H,25,29)(H,26,27,28)/b15-14+
InChIKeyPLOWKMWKEGAJNT-CCEZHUSRSA-N
XLogP5.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17461931
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 18130809
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539497
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 136712452
N-(2-ethoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 4233354
(2S)-2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 40833893
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7464564

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 16606041) is N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCOc1ccccc1NC(=O)C(Sc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is PLOWKMWKEGAJNT-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H22N4O2S2/c1-2-30-20-13-7-6-12-19(20)25-23(29)22(17-9-4-3-5-10-17)32-24-26-21(27-28-24)15-14-18-11-8-16-31-18/h3-16,22H,2H2,1H3,(H,25,29)(H,26,27,28)/b15-14+.
What are the key properties of N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 462.60 g/mol, XLogP of 5.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 16606041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).