N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide

C14H19N5O2S — CID 645508

IUPACN-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C14H19N5O2S/c1-3-8-19-14(16-17-18-19)22-10-13(20)15-9-11-4-6-12(21-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,20)
InChIKeyXPMIOPBSYLGWFQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.50
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide

N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide (PubChem CID 645508) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide
PubChem CID645508
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C14H19N5O2S/c1-3-8-19-14(16-17-18-19)22-10-13(20)15-9-11-4-6-12(21-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,20)
InChIKeyXPMIOPBSYLGWFQ-UHFFFAOYSA-N
XLogP1.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2630158
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081020
N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 972442
Cyclopropanecarboxylic acid {5-[(4-methoxy-benzylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide
CID 1462693
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725806
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647143
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methoxy-benzyl)-acetamide
CID 647977
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648292
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649764
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide
CID 665003

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide (CID 645508) is N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide is CCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XPMIOPBSYLGWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-8-19-14(16-17-18-19)22-10-13(20)15-9-11-4-6-12(21-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 321.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1-propyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 645508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).