N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide

C17H14N2O3S — CID 5401876

IUPACN-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
SMILESCOc1ccccc1N(/N=C1\Sc2ccccc2C1=O)C(C)=O
InChIInChI=1S/C17H14N2O3S/c1-11(20)19(13-8-4-5-9-14(13)22-2)18-17-16(21)12-7-3-6-10-15(12)23-17/h3-10H,1-2H3/b18-17-
InChIKeyQYEYTJAHIFEBPH-ZCXUNETKSA-N
MW326.38 g/mol
LogP3.35
Rot. Bonds3

About N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide

N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide (PubChem CID 5401876) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
PubChem CID5401876
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
SMILESCOc1ccccc1N(/N=C1\Sc2ccccc2C1=O)C(C)=O
InChIInChI=1S/C17H14N2O3S/c1-11(20)19(13-8-4-5-9-14(13)22-2)18-17-16(21)12-7-3-6-10-15(12)23-17/h3-10H,1-2H3/b18-17-
InChIKeyQYEYTJAHIFEBPH-ZCXUNETKSA-N
XLogP3.35
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives_B(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide (CID 5401876) is N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide is COc1ccccc1N(/N=C1\Sc2ccccc2C1=O)C(C)=O.
What is the InChIKey of N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
The InChIKey is QYEYTJAHIFEBPH-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-11(20)19(13-8-4-5-9-14(13)22-2)18-17-16(21)12-7-3-6-10-15(12)23-17/h3-10H,1-2H3/b18-17-.
What are the key properties of N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide has a molecular weight of 326.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide is sourced from PubChem (CID 5401876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).