N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide

C17H14N2O3S — CID 6900692

IUPACN-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
SMILESCOc1ccc(N(/N=C2\Sc3ccccc3C2=O)C(C)=O)cc1
InChIInChI=1S/C17H14N2O3S/c1-11(20)19(12-7-9-13(22-2)10-8-12)18-17-16(21)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3/b18-17-
InChIKeyCCNNPZAKZZUNBG-ZCXUNETKSA-N
MW326.38 g/mol
LogP3.35
Rot. Bonds3

About N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide

N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide (PubChem CID 6900692) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
PubChem CID6900692
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
SMILESCOc1ccc(N(/N=C2\Sc3ccccc3C2=O)C(C)=O)cc1
InChIInChI=1S/C17H14N2O3S/c1-11(20)19(12-7-9-13(22-2)10-8-12)18-17-16(21)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3/b18-17-
InChIKeyCCNNPZAKZZUNBG-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'}

Analyze N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)-1,2-benzothiazol-3-one
CID 11054313
6-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 1519965
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
CID 5401876
N-(4-methoxyphenyl)-2-(methylthio)benzamide
CID 961858
6-[(4-Methylphenyl)thio]-2,3-dihydro-2-(4-methoxyphenyl)-5-methyl-3-oxo-4-pyridazinecarbonitrile
CID 22006193
5-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 25181243
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3144227
3-(4-Methoxyphenyl)-[1]benzothiolo[3,2-d]triazin-4-one
CID 118706324
(2Z)-2-[5-benzoyl-3-(4-methoxyphenyl)-1,3,4-thiadiazol-2-ylidene]-1-phenylbutane-1,3-dione
CID 42600705
N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide
CID 798170
N-(2-methoxyphenyl)-N-[(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
CID 759940
(Z)-N-(4-methoxyphenyl)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)acetamide
CID 916104

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide (CID 6900692) is N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide is COc1ccc(N(/N=C2\Sc3ccccc3C2=O)C(C)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
The InChIKey is CCNNPZAKZZUNBG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-11(20)19(12-7-9-13(22-2)10-8-12)18-17-16(21)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3/b18-17-.
What are the key properties of N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide?
N-(4-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-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide is sourced from PubChem (CID 6900692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).