4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

C23H26FNO4S — CID 55748096

IUPAC4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)c2sc3cccc(F)c3c2COC)cc1OC
InChIInChI=1S/C23H26FNO4S/c1-5-11-29-18-10-9-15(12-19(18)28-4)14(2)25-23(26)22-16(13-27-3)21-17(24)7-6-8-20(21)30-22/h6-10,12,14H,5,11,13H2,1-4H3,(H,25,26)
InChIKeyHQGQJOJCJQCPQQ-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.48
Rot. Bonds9

About 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 55748096) has the molecular formula C23H26FNO4S and a molecular weight of 431.53 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID55748096
Molecular FormulaC23H26FNO4S
Molecular Weight431.53 g/mol
Exact Mass431.16
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)c2sc3cccc(F)c3c2COC)cc1OC
InChIInChI=1S/C23H26FNO4S/c1-5-11-29-18-10-9-15(12-19(18)28-4)14(2)25-23(26)22-16(13-27-3)21-17(24)7-6-8-20(21)30-22/h6-10,12,14H,5,11,13H2,1-4H3,(H,25,26)
InChIKeyHQGQJOJCJQCPQQ-UHFFFAOYSA-N
XLogP5.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-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

2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
N-[1-(2-chlorophenyl)ethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 24543954
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55748601
methyl 3-[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 55439922
4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 95151988
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55892387
4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55797709
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
propan-2-yl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate
CID 55475379
N-(3,4-dipropoxyphenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18269502
4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)oxy-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 122152026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 55748096) is 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is CCCOc1ccc(C(C)NC(=O)c2sc3cccc(F)c3c2COC)cc1OC.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HQGQJOJCJQCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4S/c1-5-11-29-18-10-9-15(12-19(18)28-4)14(2)25-23(26)22-16(13-27-3)21-17(24)7-6-8-20(21)30-22/h6-10,12,14H,5,11,13H2,1-4H3,(H,25,26).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55748096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).