N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

C18H16N2O3S2 — CID 122264511

IUPACN'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)c1
InChIInChI=1S/C18H16N2O3S2/c1-24-14-5-2-4-12(10-14)20-18(22)17(21)19-11-13-7-8-15(23-13)16-6-3-9-25-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDSVOKMFDBTWJIQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.98
Rot. Bonds5

About N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 122264511) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID122264511
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC NameN'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)c1
InChIInChI=1S/C18H16N2O3S2/c1-24-14-5-2-4-12(10-14)20-18(22)17(21)19-11-13-7-8-15(23-13)16-6-3-9-25-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDSVOKMFDBTWJIQ-UHFFFAOYSA-N
XLogP3.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]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'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 121019150
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264516
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264535
N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 44997522
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 122264511) is N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is CSc1cccc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)c1.
What is the InChIKey of N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is DSVOKMFDBTWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-24-14-5-2-4-12(10-14)20-18(22)17(21)19-11-13-7-8-15(23-13)16-6-3-9-25-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 372.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 122264511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).