N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide

C18H17NOS — CID 1247322

IUPACN-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1csc2ccccc12
InChIInChI=1S/C18H17NOS/c1-3-13-8-6-7-12(2)17(13)19-18(20)15-11-21-16-10-5-4-9-14(15)16/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyBSGQKROMGWZMOH-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.02
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide

N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide (PubChem CID 1247322) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide
PubChem CID1247322
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1csc2ccccc12
InChIInChI=1S/C18H17NOS/c1-3-13-8-6-7-12(2)17(13)19-18(20)15-11-21-16-10-5-4-9-14(15)16/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyBSGQKROMGWZMOH-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526
N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 110858010

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide (CID 1247322) is N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide is CCc1cccc(C)c1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is BSGQKROMGWZMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-3-13-8-6-7-12(2)17(13)19-18(20)15-11-21-16-10-5-4-9-14(15)16/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1247322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).