N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C14H17F3N2O2S — CID 2591947

IUPACN-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2S/c1-13(2,3)19-12(21)18-11(20)8-22-10-6-4-5-9(7-10)14(15,16)17/h4-7H,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyZXULEVAQMCJMKQ-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.42
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2591947) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2591947
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC NameN-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2S/c1-13(2,3)19-12(21)18-11(20)8-22-10-6-4-5-9(7-10)14(15,16)17/h4-7H,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyZXULEVAQMCJMKQ-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2591947) is N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(C)(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is ZXULEVAQMCJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-13(2,3)19-12(21)18-11(20)8-22-10-6-4-5-9(7-10)14(15,16)17/h4-7H,8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 334.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2591947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).