N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide

C17H18N2O3S — CID 154844282

IUPACN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
SMILESCc1cc(CNC(=O)CC2CCc3sccc3C2=O)cc(=O)[nH]1
InChIInChI=1S/C17H18N2O3S/c1-10-6-11(7-16(21)19-10)9-18-15(20)8-12-2-3-14-13(17(12)22)4-5-23-14/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyWFRKEGASBUOEGE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide

N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide (PubChem CID 154844282) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
PubChem CID154844282
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
SMILESCc1cc(CNC(=O)CC2CCc3sccc3C2=O)cc(=O)[nH]1
InChIInChI=1S/C17H18N2O3S/c1-10-6-11(7-16(21)19-10)9-18-15(20)8-12-2-3-14-13(17(12)22)4-5-23-14/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyWFRKEGASBUOEGE-UHFFFAOYSA-N
XLogP2.20
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide (CID 154844282) is N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide is Cc1cc(CNC(=O)CC2CCc3sccc3C2=O)cc(=O)[nH]1.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
The InChIKey is WFRKEGASBUOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-6-11(7-16(21)19-10)9-18-15(20)8-12-2-3-14-13(17(12)22)4-5-23-14/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide is sourced from PubChem (CID 154844282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).