2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C16H15NO2S — CID 20888278

IUPAC2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2csc3ccccc23)o1
InChIInChI=1S/C16H15NO2S/c1-11-6-7-13(19-11)9-17-16(18)8-12-10-20-15-5-3-2-4-14(12)15/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyPKLFQTXZDKKBEZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.66
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 20888278) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID20888278
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2csc3ccccc23)o1
InChIInChI=1S/C16H15NO2S/c1-11-6-7-13(19-11)9-17-16(18)8-12-10-20-15-5-3-2-4-14(12)15/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyPKLFQTXZDKKBEZ-UHFFFAOYSA-N
XLogP3.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 60777708
1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate
CID 55886136
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
3-(1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524941
6-(1-benzothiophen-3-yl)hexane-2,3,5-trione
CID 59961659
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63613534

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 20888278) is 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2csc3ccccc23)o1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is PKLFQTXZDKKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-6-7-13(19-11)9-17-16(18)8-12-10-20-15-5-3-2-4-14(12)15/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 20888278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).