4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide

C19H17FN2O3S — CID 55567162

IUPAC4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2C)c1
InChIInChI=1S/C19H17FN2O3S/c1-11-17-14(20)7-4-8-15(17)26-18(11)19(24)22-13-6-3-5-12(9-13)21-16(23)10-25-2/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVEXDGJCVYMMOAQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.19
Rot. Bonds5

About 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 55567162) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID55567162
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2C)c1
InChIInChI=1S/C19H17FN2O3S/c1-11-17-14(20)7-4-8-15(17)26-18(11)19(24)22-13-6-3-5-12(9-13)21-16(23)10-25-2/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVEXDGJCVYMMOAQ-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
N-(3,4-dipropoxyphenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18269502
4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55533243
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
N-(3,4-difluorophenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667570
N-(3,5-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668737
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 7603352
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 55567162) is 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2C)c1.
What is the InChIKey of 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is VEXDGJCVYMMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-11-17-14(20)7-4-8-15(17)26-18(11)19(24)22-13-6-3-5-12(9-13)21-16(23)10-25-2/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55567162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).