2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C14H14F3N5OS — CID 55996383

IUPAC2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC=CCn1nnnc1SC(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N5OS/c1-3-8-22-13(19-20-21-22)24-9(2)12(23)18-11-7-5-4-6-10(11)14(15,16)17/h3-7,9H,1,8H2,2H3,(H,18,23)
InChIKeyOERIEHYSSZRUAH-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.00
Rot. Bonds6

About 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55996383) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID55996383
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC=CCn1nnnc1SC(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N5OS/c1-3-8-22-13(19-20-21-22)24-9(2)12(23)18-11-7-5-4-6-10(11)14(15,16)17/h3-7,9H,1,8H2,2H3,(H,18,23)
InChIKeyOERIEHYSSZRUAH-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
CID 60563872
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234597
N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
CID 60564109
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 24520409
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7743440
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55418327
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46621722
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640554

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 55996383) is 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is C=CCn1nnnc1SC(C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OERIEHYSSZRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-3-8-22-13(19-20-21-22)24-9(2)12(23)18-11-7-5-4-6-10(11)14(15,16)17/h3-7,9H,1,8H2,2H3,(H,18,23).
What are the key properties of 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55996383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).