3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide

C18H16N2O2S — CID 11110136

IUPAC3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2csc3ccccc23)c1
InChIInChI=1S/C18H16N2O2S/c1-19-18(22)12-5-4-6-14(9-12)20-17(21)10-13-11-23-16-8-3-2-7-15(13)16/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyRKMZAGZNHKMKKB-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.44
Rot. Bonds4

About 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide

3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 11110136) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide
PubChem CID11110136
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2csc3ccccc23)c1
InChIInChI=1S/C18H16N2O2S/c1-19-18(22)12-5-4-6-14(9-12)20-17(21)10-13-11-23-16-8-3-2-7-15(13)16/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyRKMZAGZNHKMKKB-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide (CID 11110136) is 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)Cc2csc3ccccc23)c1.
What is the InChIKey of 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is RKMZAGZNHKMKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-19-18(22)12-5-4-6-14(9-12)20-17(21)10-13-11-23-16-8-3-2-7-15(13)16/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide?
3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 324.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 11110136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).