N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C17H19NO2S — CID 748471

IUPACN-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1
InChIInChI=1S/C17H19NO2S/c1-2-20-13-9-7-12(8-10-13)18-17(19)15-11-21-16-6-4-3-5-14(15)16/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyAFKHNCBYFXVUMY-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.28
Rot. Bonds4

About N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 748471) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID748471
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1
InChIInChI=1S/C17H19NO2S/c1-2-20-13-9-7-12(8-10-13)18-17(19)15-11-21-16-6-4-3-5-14(15)16/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyAFKHNCBYFXVUMY-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
CID 1234022
O-Tolu-P-phenetidide
CID 710558
N-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 3978878
3-Butoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015934
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 916362
N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
N-(2-Ethoxyphenyl)-4,5-dimethyl-3-thiophenecarboxamide
CID 1245175
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 748471) is N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is AFKHNCBYFXVUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-20-13-9-7-12(8-10-13)18-17(19)15-11-21-16-6-4-3-5-14(15)16/h7-11H,2-6H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 748471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).