N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide

C20H18N2O4S — CID 99873315

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)c2ccco2)s1)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c1-13(14-6-3-2-4-7-14)22-20(25)19(24)21-12-15-9-10-17(27-15)18(23)16-8-5-11-26-16/h2-11,13H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyARFCJPHFYDEQBY-CYBMUJFWSA-N
MW382.44 g/mol
LogP3.07
Rot. Bonds6

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 99873315) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID99873315
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)c2ccco2)s1)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c1-13(14-6-3-2-4-7-14)22-20(25)19(24)21-12-15-9-10-17(27-15)18(23)16-8-5-11-26-16/h2-11,13H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyARFCJPHFYDEQBY-CYBMUJFWSA-N
XLogP3.07
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(1-phenylethyl)oxamide
CID 121133968
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99876519
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide (CID 99873315) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)c2ccco2)s1)c1ccccc1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is ARFCJPHFYDEQBY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13(14-6-3-2-4-7-14)22-20(25)19(24)21-12-15-9-10-17(27-15)18(23)16-8-5-11-26-16/h2-11,13H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 382.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 99873315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).