N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C23H17FN2O3S — CID 55902337

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2cc3c(F)cccc3s2)c1)Nc1ccccc1
InChIInChI=1S/C23H17FN2O3S/c24-19-10-5-11-20-18(19)13-21(30-20)23(28)26-16-8-4-9-17(12-16)29-14-22(27)25-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)(H,26,28)
InChIKeyISCHHDLCRKCIAQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.31
Rot. Bonds6

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 55902337) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID55902337
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2cc3c(F)cccc3s2)c1)Nc1ccccc1
InChIInChI=1S/C23H17FN2O3S/c24-19-10-5-11-20-18(19)13-21(30-20)23(28)26-16-8-4-9-17(12-16)29-14-22(27)25-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)(H,26,28)
InChIKeyISCHHDLCRKCIAQ-UHFFFAOYSA-N
XLogP5.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55902341
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 34073469
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 55902337) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is O=C(COc1cccc(NC(=O)c2cc3c(F)cccc3s2)c1)Nc1ccccc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is ISCHHDLCRKCIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c24-19-10-5-11-20-18(19)13-21(30-20)23(28)26-16-8-4-9-17(12-16)29-14-22(27)25-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55902337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).