N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide

C19H19F3N2O2S — CID 18901579

IUPACN-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2S/c1-2-6-17(25)23-13-7-5-8-14(11-13)27-12-18(26)24-16-10-4-3-9-15(16)19(20,21)22/h3-5,7-11H,2,6,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyGNBMLMYPQDEFJE-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.17
Rot. Bonds7

About N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide

N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide (PubChem CID 18901579) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
PubChem CID18901579
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2S/c1-2-6-17(25)23-13-7-5-8-14(11-13)27-12-18(26)24-16-10-4-3-9-15(16)19(20,21)22/h3-5,7-11H,2,6,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyGNBMLMYPQDEFJE-UHFFFAOYSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(butanoylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18901651
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912435
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417
N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903036
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide
CID 18908491
ethyl 4-[3-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate
CID 19318471
N-[(Z)-1-(3-chlorophenyl)-3-oxo-3-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19305668
2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18905971

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide?
The IUPAC name of N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide (CID 18901579) is N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide is CCCC(=O)Nc1cccc(SCC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide?
The InChIKey is GNBMLMYPQDEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-2-6-17(25)23-13-7-5-8-14(11-13)27-12-18(26)24-16-10-4-3-9-15(16)19(20,21)22/h3-5,7-11H,2,6,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide?
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide has a molecular weight of 396.43 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide is sourced from PubChem (CID 18901579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).