N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide

C16H10Cl2N2O3S — CID 5430597

IUPACN-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2coc3c(Cl)cc(Cl)cc3c2=O)cs1
InChIInChI=1S/C16H10Cl2N2O3S/c1-8-2-9(7-24-8)16(22)20-19-5-10-6-23-15-12(14(10)21)3-11(17)4-13(15)18/h2-7H,1H3,(H,20,22)/b19-5-
InChIKeyOQGPPZFBERPVPM-IPKBDRFQSA-N
MW381.24 g/mol
LogP4.23
Rot. Bonds3

About N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide

N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide (PubChem CID 5430597) has the molecular formula C16H10Cl2N2O3S and a molecular weight of 381.24 g/mol. Its IUPAC name is N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide
PubChem CID5430597
Molecular FormulaC16H10Cl2N2O3S
Molecular Weight381.24 g/mol
Exact Mass379.98
IUPAC NameN-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2coc3c(Cl)cc(Cl)cc3c2=O)cs1
InChIInChI=1S/C16H10Cl2N2O3S/c1-8-2-9(7-24-8)16(22)20-19-5-10-6-23-15-12(14(10)21)3-11(17)4-13(15)18/h2-7H,1H3,(H,20,22)/b19-5-
InChIKeyOQGPPZFBERPVPM-IPKBDRFQSA-N
XLogP4.23
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide 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

5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide
CID 57402719
N-[(E)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 44722758
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 6021448
2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]acetamide
CID 44722797
4-butoxy-N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzamide
CID 17385518
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300
3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
CID 6011150
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 44723132
N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
CID 4227337
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide (CID 5430597) is N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)N/N=C\c2coc3c(Cl)cc(Cl)cc3c2=O)cs1.
What is the InChIKey of N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
The InChIKey is OQGPPZFBERPVPM-IPKBDRFQSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3S/c1-8-2-9(7-24-8)16(22)20-19-5-10-6-23-15-12(14(10)21)3-11(17)4-13(15)18/h2-7H,1H3,(H,20,22)/b19-5-.
What are the key properties of N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide has a molecular weight of 381.24 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 5430597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).