N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C12H13F3N2O2S — CID 2591998

IUPACN-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2S/c1-2-16-11(19)17-10(18)7-20-9-5-3-4-8(6-9)12(13,14)15/h3-6H,2,7H2,1H3,(H2,16,17,18,19)
InChIKeyDIFPVFJQOLGZTK-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.64
Rot. Bonds4

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

N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2591998) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2591998
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC NameN-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2S/c1-2-16-11(19)17-10(18)7-20-9-5-3-4-8(6-9)12(13,14)15/h3-6H,2,7H2,1H3,(H2,16,17,18,19)
InChIKeyDIFPVFJQOLGZTK-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591982
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
4-[3-(Trifluoromethyl)phenyl]sulfanylazetidin-2-one
CID 118526787
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
CID 47408792

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2591998) is N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is DIFPVFJQOLGZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c1-2-16-11(19)17-10(18)7-20-9-5-3-4-8(6-9)12(13,14)15/h3-6H,2,7H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 306.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2591998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).