N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C19H17FN2O2S — CID 55782825

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C19H17FN2O2S/c1-3-21-18(23)12-8-7-11(2)15(9-12)22-19(24)17-10-13-14(20)5-4-6-16(13)25-17/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWTMRUPTWBJLIOC-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.35
Rot. Bonds4

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 55782825) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID55782825
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C19H17FN2O2S/c1-3-21-18(23)12-8-7-11(2)15(9-12)22-19(24)17-10-13-14(20)5-4-6-16(13)25-17/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWTMRUPTWBJLIOC-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-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

4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 55545508
methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 34073469
2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide
CID 131934850
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23794603
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 55782825) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cc3c(F)cccc3s2)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is WTMRUPTWBJLIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-3-21-18(23)12-8-7-11(2)15(9-12)22-19(24)17-10-13-14(20)5-4-6-16(13)25-17/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55782825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).