N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide

C20H15F3N2O2S2 — CID 22780441

IUPACN-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2cccs2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O2S2/c21-20(22,23)15-4-1-2-5-16(15)25-18(26)12-29-14-9-7-13(8-10-14)24-19(27)17-6-3-11-28-17/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyCVEOLVHBRONLSM-UHFFFAOYSA-N
MW436.48 g/mol
LogP5.75
Rot. Bonds6

About N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 22780441) has the molecular formula C20H15F3N2O2S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID22780441
Molecular FormulaC20H15F3N2O2S2
Molecular Weight436.48 g/mol
Exact Mass436.05
IUPAC NameN-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2cccs2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O2S2/c21-20(22,23)15-4-1-2-5-16(15)25-18(26)12-29-14-9-7-13(8-10-14)24-19(27)17-6-3-11-28-17/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyCVEOLVHBRONLSM-UHFFFAOYSA-N
XLogP5.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
4-methyl-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 22781682
2,6-dimethoxy-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 23099063
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
3,4-dimethoxy-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 23099064
(E)-2-methyl-4-oxo-4-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylanilino]but-2-enoic acid
CID 19059265
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19631271
N-[(Z)-1-(2-methylphenyl)-3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22189625
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630090
N-[(Z)-3-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189441
N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19629990
N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22778473

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 22780441) is N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(CSc1ccc(NC(=O)c2cccs2)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is CVEOLVHBRONLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2S2/c21-20(22,23)15-4-1-2-5-16(15)25-18(26)12-29-14-9-7-13(8-10-14)24-19(27)17-6-3-11-28-17/h1-11H,12H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22780441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).