2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C14H18N4O2S — CID 64530215

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCCOc1ccc(SCC(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4O2S/c1-2-20-11-3-5-12(6-4-11)21-9-14(19)15-8-7-13-16-10-17-18-13/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyFQGSMDBKTAXFAT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.65
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64530215) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64530215
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCCOc1ccc(SCC(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4O2S/c1-2-20-11-3-5-12(6-4-11)21-9-14(19)15-8-7-13-16-10-17-18-13/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyFQGSMDBKTAXFAT-UHFFFAOYSA-N
XLogP1.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518766
2-(4-bromophenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546662
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 51207979
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64530215) is 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CCOc1ccc(SCC(=O)NCCc2ncn[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is FQGSMDBKTAXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-20-11-3-5-12(6-4-11)21-9-14(19)15-8-7-13-16-10-17-18-13/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64530215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).