2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C22H18N2OS — CID 67309295

IUPAC2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3csc4ccccc34)cc2)ccn1
InChIInChI=1S/C22H18N2OS/c1-15-12-17(10-11-23-15)16-6-8-19(9-7-16)24-22(25)13-18-14-26-21-5-3-2-4-20(18)21/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyFDYXEOSWOIXHJK-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.45
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 67309295) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID67309295
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3csc4ccccc34)cc2)ccn1
InChIInChI=1S/C22H18N2OS/c1-15-12-17(10-11-23-15)16-6-8-19(9-7-16)24-22(25)13-18-14-26-21-5-3-2-4-20(18)21/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyFDYXEOSWOIXHJK-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
2-(2-chloro-5-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67308080
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755028
2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053168
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 67309295) is 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)Cc3csc4ccccc34)cc2)ccn1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is FDYXEOSWOIXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-12-17(10-11-23-15)16-6-8-19(9-7-16)24-22(25)13-18-14-26-21-5-3-2-4-20(18)21/h2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 5.45, 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-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 67309295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).