N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide

C14H18N6O2S — CID 8594389

IUPACN-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1nnnn1C
InChIInChI=1S/C14H18N6O2S/c1-3-10-6-4-5-7-11(10)16-12(21)8-15-13(22)9-23-14-17-18-19-20(14)2/h4-7H,3,8-9H2,1-2H3,(H,15,22)(H,16,21)
InChIKeyFIELIVAGCZPVAG-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.62
Rot. Bonds7

About N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide (PubChem CID 8594389) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
PubChem CID8594389
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1nnnn1C
InChIInChI=1S/C14H18N6O2S/c1-3-10-6-4-5-7-11(10)16-12(21)8-15-13(22)9-23-14-17-18-19-20(14)2/h4-7H,3,8-9H2,1-2H3,(H,15,22)(H,16,21)
InChIKeyFIELIVAGCZPVAG-UHFFFAOYSA-N
XLogP0.62
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 8565061
N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405208
N-(2-ethylphenyl)-2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 40750211
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
CID 31465715
N-[(2-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9231138
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide
CID 37137317
2-[[2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 34504916
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-(2-ethylphenyl)-2-[[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34705843
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide (CID 8594389) is N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)CSc1nnnn1C.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is FIELIVAGCZPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-3-10-6-4-5-7-11(10)16-12(21)8-15-13(22)9-23-14-17-18-19-20(14)2/h4-7H,3,8-9H2,1-2H3,(H,15,22)(H,16,21).
What are the key properties of N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 334.41 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 8594389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).