2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C15H17F3N6O2S — CID 2335219

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C15H17F3N6O2S/c1-23-14(20-21-22-23)27-9-13(25)19-11-8-10(15(16,17)18)2-3-12(11)24-4-6-26-7-5-24/h2-3,8H,4-7,9H2,1H3,(H,19,25)
InChIKeyIBBHITCVEMIODK-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.80
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2335219) has the molecular formula C15H17F3N6O2S and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2335219
Molecular FormulaC15H17F3N6O2S
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C15H17F3N6O2S/c1-23-14(20-21-22-23)27-9-13(25)19-11-8-10(15(16,17)18)2-3-12(11)24-4-6-26-7-5-24/h2-3,8H,4-7,9H2,1H3,(H,19,25)
InChIKeyIBBHITCVEMIODK-UHFFFAOYSA-N
XLogP1.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2335219) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IBBHITCVEMIODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2S/c1-23-14(20-21-22-23)27-9-13(25)19-11-8-10(15(16,17)18)2-3-12(11)24-4-6-26-7-5-24/h2-3,8H,4-7,9H2,1H3,(H,19,25).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2335219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).