N-(1-benzothiophen-5-yl)-4-ethoxybenzamide

C17H15NO2S — CID 23796811

IUPACN-(1-benzothiophen-5-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H15NO2S/c1-2-20-15-6-3-12(4-7-15)17(19)18-14-5-8-16-13(11-14)9-10-21-16/h3-11H,2H2,1H3,(H,18,19)
InChIKeyFVECWPNEXFCAPP-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.55
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-4-ethoxybenzamide

N-(1-benzothiophen-5-yl)-4-ethoxybenzamide (PubChem CID 23796811) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-ethoxybenzamide
PubChem CID23796811
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(1-benzothiophen-5-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H15NO2S/c1-2-20-15-6-3-12(4-7-15)17(19)18-14-5-8-16-13(11-14)9-10-21-16/h3-11H,2H2,1H3,(H,18,19)
InChIKeyFVECWPNEXFCAPP-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55479251
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538
methyl 3-ethoxy-5-[(4-ethoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 46380784
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
CID 60564468
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide
CID 63979318
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-ethoxybenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-ethoxybenzamide (CID 23796811) is N-(1-benzothiophen-5-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3sccc3c2)cc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-ethoxybenzamide?
The InChIKey is FVECWPNEXFCAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-2-20-15-6-3-12(4-7-15)17(19)18-14-5-8-16-13(11-14)9-10-21-16/h3-11H,2H2,1H3,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-4-ethoxybenzamide?
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide has a molecular weight of 297.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-ethoxybenzamide is sourced from PubChem (CID 23796811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).