N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C13H15N5O2S — CID 2596136

IUPACN-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H15N5O2S/c1-20-11-6-4-10(5-7-11)18-13(15-16-17-18)21-8-12(19)14-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,14,19)
InChIKeyGSMIZLBEEQYKIK-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.04
Rot. Bonds6

About N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2596136) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2596136
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H15N5O2S/c1-20-11-6-4-10(5-7-11)18-13(15-16-17-18)21-8-12(19)14-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,14,19)
InChIKeyGSMIZLBEEQYKIK-UHFFFAOYSA-N
XLogP1.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol
CID 666301

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2596136) is N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is GSMIZLBEEQYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-20-11-6-4-10(5-7-11)18-13(15-16-17-18)21-8-12(19)14-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,14,19).
What are the key properties of N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 305.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2596136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).