N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide

C19H18N2O4S — CID 121133600

IUPACN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3ccco3)s2)cc1
InChIInChI=1S/C19H18N2O4S/c1-12-4-6-13(7-5-12)21-19(24)18(23)20-11-14-8-9-16(26-14)17(22)15-3-2-10-25-15/h2-10,17,22H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJFPUTSDYQBRSHR-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.99
Rot. Bonds5

About N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide (PubChem CID 121133600) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
PubChem CID121133600
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3ccco3)s2)cc1
InChIInChI=1S/C19H18N2O4S/c1-12-4-6-13(7-5-12)21-19(24)18(23)20-11-14-8-9-16(26-14)17(22)15-3-2-10-25-15/h2-10,17,22H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJFPUTSDYQBRSHR-UHFFFAOYSA-N
XLogP2.99
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide (CID 121133600) is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3ccco3)s2)cc1.
What is the InChIKey of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide?
The InChIKey is JFPUTSDYQBRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-12-4-6-13(7-5-12)21-19(24)18(23)20-11-14-8-9-16(26-14)17(22)15-3-2-10-25-15/h2-10,17,22H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide?
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide has a molecular weight of 370.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 121133600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).