N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C19H20N4O3S — CID 7906412

IUPACN-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-25-15-7-3-13(4-8-15)11-20-17(24)12-27-19-21-18(22-23-19)14-5-9-16(26-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyWVWNLUQKQFYTJT-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.90
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 7906412) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID7906412
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-25-15-7-3-13(4-8-15)11-20-17(24)12-27-19-21-18(22-23-19)14-5-9-16(26-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyWVWNLUQKQFYTJT-UHFFFAOYSA-N
XLogP2.90
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 7906412) is N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1ccc(CNC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is WVWNLUQKQFYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-25-15-7-3-13(4-8-15)11-20-17(24)12-27-19-21-18(22-23-19)14-5-9-16(26-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 7906412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).