4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide

C19H14F4N2O2S — CID 55545508

IUPAC4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2c(F)cccc2s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O2S/c20-14-2-1-3-15-13(14)10-16(28-15)18(27)25-9-8-24-17(26)11-4-6-12(7-5-11)19(21,22)23/h1-7,10H,8-9H2,(H,24,26)(H,25,27)
InChIKeyMNNULSWDOQYMNQ-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.22
Rot. Bonds5

About 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 55545508) has the molecular formula C19H14F4N2O2S and a molecular weight of 410.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID55545508
Molecular FormulaC19H14F4N2O2S
Molecular Weight410.39 g/mol
Exact Mass410.07
IUPAC Name4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2c(F)cccc2s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O2S/c20-14-2-1-3-15-13(14)10-16(28-15)18(27)25-9-8-24-17(26)11-4-6-12(7-5-11)19(21,22)23/h1-7,10H,8-9H2,(H,24,26)(H,25,27)
InChIKeyMNNULSWDOQYMNQ-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide
CID 46427172
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55782825
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108110
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 39573905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide (CID 55545508) is 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCNC(=O)c1cc2c(F)cccc2s1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MNNULSWDOQYMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2S/c20-14-2-1-3-15-13(14)10-16(28-15)18(27)25-9-8-24-17(26)11-4-6-12(7-5-11)19(21,22)23/h1-7,10H,8-9H2,(H,24,26)(H,25,27).
What are the key properties of 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 410.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55545508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).