N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide

C18H16FN3O2S — CID 75365072

IUPACN'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C2/CCSc3c(F)cccc32)cc1
InChIInChI=1S/C18H16FN3O2S/c1-11-5-7-12(8-6-11)20-17(23)18(24)22-21-15-9-10-25-16-13(15)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,23)(H,22,24)/b21-15-
InChIKeyYDNFSBOJFJOYAI-QNGOZBTKSA-N
MW357.41 g/mol
LogP3.09
Rot. Bonds2

About N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide

N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide (PubChem CID 75365072) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide
PubChem CID75365072
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C2/CCSc3c(F)cccc32)cc1
InChIInChI=1S/C18H16FN3O2S/c1-11-5-7-12(8-6-11)20-17(23)18(24)22-21-15-9-10-25-16-13(15)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,23)(H,22,24)/b21-15-
InChIKeyYDNFSBOJFJOYAI-QNGOZBTKSA-N
XLogP3.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide 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

N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
CID 9156024
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
N'-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 9179917
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
CID 9155826
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-[4-[(E)-(8-fluoro-4-oxothiochromen-3-ylidene)methyl]phenyl]acetamide
CID 167810369

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide (CID 75365072) is N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C2/CCSc3c(F)cccc32)cc1.
What is the InChIKey of N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide?
The InChIKey is YDNFSBOJFJOYAI-QNGOZBTKSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11-5-7-12(8-6-11)20-17(23)18(24)22-21-15-9-10-25-16-13(15)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,23)(H,22,24)/b21-15-.
What are the key properties of N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide has a molecular weight of 357.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 75365072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).