2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

C14H18N4O3S — CID 108733092

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCSc1n[nH]c(NC(=O)Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H18N4O3S/c1-4-22-14-16-13(17-18-14)15-12(19)8-9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHNCLXBUBBCBQIR-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.12
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 108733092) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID108733092
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCSc1n[nH]c(NC(=O)Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H18N4O3S/c1-4-22-14-16-13(17-18-14)15-12(19)8-9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHNCLXBUBBCBQIR-UHFFFAOYSA-N
XLogP2.12
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 46741020
3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 108733115
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108810536
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 108733119
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108733113
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 28875219
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
3-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 43248821
2-(3,4-dimethoxyphenyl)-N-[4-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]acetamide
CID 2953970
N-(3,4-dimethoxyphenyl)-2-[[5-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135995506

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (CID 108733092) is 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is CCSc1n[nH]c(NC(=O)Cc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is HNCLXBUBBCBQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-4-22-14-16-13(17-18-14)15-12(19)8-9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 108733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).