2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

C15H18FN5O2S — CID 39683824

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C15H18FN5O2S/c1-20(8-9-23-13-6-2-11(16)3-7-13)14(22)10-24-15-17-18-19-21(15)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyOQGMAKQEIJHOFW-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.78
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 39683824) has the molecular formula C15H18FN5O2S and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID39683824
Molecular FormulaC15H18FN5O2S
Molecular Weight351.41 g/mol
Exact Mass351.12
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C15H18FN5O2S/c1-20(8-9-23-13-6-2-11(16)3-7-13)14(22)10-24-15-17-18-19-21(15)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyOQGMAKQEIJHOFW-UHFFFAOYSA-N
XLogP1.78
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (CID 39683824) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(F)cc1)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is OQGMAKQEIJHOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2S/c1-20(8-9-23-13-6-2-11(16)3-7-13)14(22)10-24-15-17-18-19-21(15)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 351.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 39683824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).