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

C16H12N2O2S — CID 5401873

IUPACN-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide
SMILESCC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c1-11(19)18(12-7-3-2-4-8-12)17-16-15(20)13-9-5-6-10-14(13)21-16/h2-10H,1H3/b17-16-
InChIKeyKYSFXQOZNRWVLN-MSUUIHNZSA-N
MW296.35 g/mol
LogP3.34
Rot. Bonds2

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

N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide (PubChem CID 5401873) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide
PubChem CID5401873
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide
SMILESCC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c1-11(19)18(12-7-3-2-4-8-12)17-16-15(20)13-9-5-6-10-14(13)21-16/h2-10H,1H3/b17-16-
InChIKeyKYSFXQOZNRWVLN-MSUUIHNZSA-N
XLogP3.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide?
The IUPAC name of N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide (CID 5401873) is N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide.
What is the SMILES notation for N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide?
The canonical SMILES for N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide is CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide?
The InChIKey is KYSFXQOZNRWVLN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-11(19)18(12-7-3-2-4-8-12)17-16-15(20)13-9-5-6-10-14(13)21-16/h2-10H,1H3/b17-16-.
What are the key properties of N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide?
N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide has a molecular weight of 296.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]-N-phenylacetamide is sourced from PubChem (CID 5401873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).