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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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).