N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C13H16N6O2S — CID 1239751

IUPACN-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H16N6O2S/c1-3-19-13(16-17-18-19)22-8-12(21)15-11-6-4-10(5-7-11)14-9(2)20/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyCPAXASAGHJURCS-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.38
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1239751) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID1239751
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H16N6O2S/c1-3-19-13(16-17-18-19)22-8-12(21)15-11-6-4-10(5-7-11)14-9(2)20/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyCPAXASAGHJURCS-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-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 3169643
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 49152046
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
2-[5-[2-[4-[hydroxy(methyl)arsanyl]anilino]-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 157270156
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1455250
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 55462827
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271
N-(4-chlorophenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 16648821
N-(4-bromophenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 9150680
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 1239751) is N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CPAXASAGHJURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-3-19-13(16-17-18-19)22-8-12(21)15-11-6-4-10(5-7-11)14-9(2)20/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21).
What are the key properties of N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(4-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-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1239751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).