N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H19NO2S — CID 86926686

IUPACN-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(c1ccco1)N(C)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H19NO2S/c1-11(14-7-5-9-19-14)17(2)16(18)13-10-20-15-8-4-3-6-12(13)15/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyYPKKJUFRWIQRJM-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 86926686) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID86926686
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(c1ccco1)N(C)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H19NO2S/c1-11(14-7-5-9-19-14)17(2)16(18)13-10-20-15-8-4-3-6-12(13)15/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyYPKKJUFRWIQRJM-UHFFFAOYSA-N
XLogP4.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18110366
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51650990
N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 87027841
N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5262629
N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6622965
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 13308348
2-methyl-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)propanenitrile
CID 130815448
N-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
3-[cyclopropyl(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-2-methylpropanoic acid
CID 86782777
2-[2-(dimethylamino)ethyl-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]acetic acid
CID 103802838
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55527655

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 86926686) is N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC(c1ccco1)N(C)C(=O)c1csc2c1CCCC2.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is YPKKJUFRWIQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(14-7-5-9-19-14)17(2)16(18)13-10-20-15-8-4-3-6-12(13)15/h5,7,9-11H,3-4,6,8H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 86926686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).