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

C19H18N2O3S — CID 122264488

IUPACN'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-8-13(2)10-14(9-12)21-19(23)18(22)20-11-15-5-6-16(24-15)17-4-3-7-25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCRHKVRCNOJYEOJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.88
Rot. Bonds4

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

N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 122264488) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID122264488
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-8-13(2)10-14(9-12)21-19(23)18(22)20-11-15-5-6-16(24-15)17-4-3-7-25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCRHKVRCNOJYEOJ-UHFFFAOYSA-N
XLogP3.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264511
N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264516
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
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'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 121019150
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 122264488) is N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is CRHKVRCNOJYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-8-13(2)10-14(9-12)21-19(23)18(22)20-11-15-5-6-16(24-15)17-4-3-7-25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 354.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 122264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).