4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C17H14FNO3S — CID 78823758

IUPAC4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(O)c2)sc2cccc(F)c12
InChIInChI=1S/C17H14FNO3S/c1-22-9-12-15-13(18)6-3-7-14(15)23-16(12)17(21)19-10-4-2-5-11(20)8-10/h2-8,20H,9H2,1H3,(H,19,21)
InChIKeyAXMAPQDVWOLCPQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.14
Rot. Bonds4

About 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 78823758) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID78823758
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(O)c2)sc2cccc(F)c12
InChIInChI=1S/C17H14FNO3S/c1-22-9-12-15-13(18)6-3-7-14(15)23-16(12)17(21)19-10-4-2-5-11(20)8-10/h2-8,20H,9H2,1H3,(H,19,21)
InChIKeyAXMAPQDVWOLCPQ-UHFFFAOYSA-N
XLogP4.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 5091486
N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 969593
3-hydroxy-N-(3-(trifluoromethyl)phenyl)-1-benzothiophene-2-carboxamide
CID 901311
Ethyl 3-(4-hydroxyanilino)benzothiophene-2-carboxylate
CID 11266989
5-(2-fluoro-3-methoxyphenyl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 60196906
5-(3-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518261
5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 71546013
5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 78798255
3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717514
5-(2-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 177371255
N-(3-Hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597004
3-Bromo-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 24212740

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 78823758) is 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2cccc(O)c2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is AXMAPQDVWOLCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-22-9-12-15-13(18)6-3-7-14(15)23-16(12)17(21)19-10-4-2-5-11(20)8-10/h2-8,20H,9H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78823758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).