N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H19FN2O2S — CID 24982328

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C18H19FN2O2S/c1-21(10-17(22)20-13-6-4-5-12(19)9-13)18(23)15-11-24-16-8-3-2-7-14(15)16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,22)
InChIKeyNIXZXKLKDWWEKI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.48
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 24982328) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID24982328
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C18H19FN2O2S/c1-21(10-17(22)20-13-6-4-5-12(19)9-13)18(23)15-11-24-16-8-3-2-7-14(15)16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,22)
InChIKeyNIXZXKLKDWWEKI-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 38624834
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 131914496
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 24982328) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1csc2c1CCCC2.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is NIXZXKLKDWWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-21(10-17(22)20-13-6-4-5-12(19)9-13)18(23)15-11-24-16-8-3-2-7-14(15)16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 24982328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).