N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H15N5OS — CID 578286

IUPACN-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5OS/c1-3-9-4-6-10(7-5-9)13-11(18)8-19-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyMYUVFLJJVFPFOO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.50
Rot. Bonds5

About N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 578286) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID578286
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5OS/c1-3-9-4-6-10(7-5-9)13-11(18)8-19-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyMYUVFLJJVFPFOO-UHFFFAOYSA-N
XLogP1.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 578286) is N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MYUVFLJJVFPFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-9-4-6-10(7-5-9)13-11(18)8-19-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18).
What are the key properties of N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 578286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).