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

C15H17F3N2O2S — CID 2591988

IUPACN-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17F3N2O2S/c16-15(17,18)10-4-3-7-12(8-10)23-9-13(21)20-14(22)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H2,19,20,21,22)
InChIKeyNUVVNXOFMFEORQ-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.57
Rot. Bonds4

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

N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2591988) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2591988
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC NameN-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17F3N2O2S/c16-15(17,18)10-4-3-7-12(8-10)23-9-13(21)20-14(22)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H2,19,20,21,22)
InChIKeyNUVVNXOFMFEORQ-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
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
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591620
N-(cyclopentylcarbamoyl)-3-[(2,3-difluorophenyl)methylsulfanyl]propanamide
CID 40011203
N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]sulfanylbutanamide
CID 123562484
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2591988) is N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is NUVVNXOFMFEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c16-15(17,18)10-4-3-7-12(8-10)23-9-13(21)20-14(22)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H2,19,20,21,22).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 346.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2591988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).