N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C13H17N5O3S — CID 655782

IUPACN-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17N5O3S/c1-4-18-13(15-16-17-18)22-8-12(19)14-9-5-10(20-2)7-11(6-9)21-3/h5-7H,4,8H2,1-3H3,(H,14,19)
InChIKeyLNCZXZWPGRAQAC-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.44
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 655782) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID655782
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17N5O3S/c1-4-18-13(15-16-17-18)22-8-12(19)14-9-5-10(20-2)7-11(6-9)21-3/h5-7H,4,8H2,1-3H3,(H,14,19)
InChIKeyLNCZXZWPGRAQAC-UHFFFAOYSA-N
XLogP1.44
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 655782) is N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LNCZXZWPGRAQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-4-18-13(15-16-17-18)22-8-12(19)14-9-5-10(20-2)7-11(6-9)21-3/h5-7H,4,8H2,1-3H3,(H,14,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 323.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 655782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).