2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide

C19H18N2O2S — CID 14212841

IUPAC2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18N2O2S/c1-13(22)21-18(17-11-15-9-5-6-10-16(15)24-17)19(23)20-12-14-7-3-2-4-8-14/h2-11,18H,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyMEFWJFYISFHTQD-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.39
Rot. Bonds5

About 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide

2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide (PubChem CID 14212841) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide
PubChem CID14212841
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18N2O2S/c1-13(22)21-18(17-11-15-9-5-6-10-16(15)24-17)19(23)20-12-14-7-3-2-4-8-14/h2-11,18H,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyMEFWJFYISFHTQD-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide?
The IUPAC name of 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide (CID 14212841) is 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide.
What is the SMILES notation for 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide?
The canonical SMILES for 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide?
The InChIKey is MEFWJFYISFHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13(22)21-18(17-11-15-9-5-6-10-16(15)24-17)19(23)20-12-14-7-3-2-4-8-14/h2-11,18H,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide?
2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide has a molecular weight of 338.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(1-benzothiophen-2-yl)-N-benzylacetamide is sourced from PubChem (CID 14212841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).