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

C10H9F3N2O2S — CID 2591982

IUPACN-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)6-2-1-3-7(4-6)18-5-8(16)15-9(14)17/h1-4H,5H2,(H3,14,15,16,17)
InChIKeyYTAYMZYJZWJIRV-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.99
Rot. Bonds3

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

N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2591982) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.26 g/mol. Its IUPAC name is N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2591982
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC NameN-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)6-2-1-3-7(4-6)18-5-8(16)15-9(14)17/h1-4H,5H2,(H3,14,15,16,17)
InChIKeyYTAYMZYJZWJIRV-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2591982) is N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is YTAYMZYJZWJIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c11-10(12,13)6-2-1-3-7(4-6)18-5-8(16)15-9(14)17/h1-4H,5H2,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 278.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2591982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).