N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C13H16N6O2S — CID 648551

IUPACN-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H16N6O2S/c1-3-19-13(16-17-18-19)22-8-12(21)15-11-6-4-5-10(7-11)14-9(2)20/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyAYNJCISJAAWJLE-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.38
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 648551) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID648551
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H16N6O2S/c1-3-19-13(16-17-18-19)22-8-12(21)15-11-6-4-5-10(7-11)14-9(2)20/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyAYNJCISJAAWJLE-UHFFFAOYSA-N
XLogP1.38
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1224972
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
[5-({2-[(2,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]acetic acid
CID 714841
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
2-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 806763
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 648551) is N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is AYNJCISJAAWJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-3-19-13(16-17-18-19)22-8-12(21)15-11-6-4-5-10(7-11)14-9(2)20/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21).
What are the key properties of N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 320.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 648551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).