N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide

C16H20N2O4S — CID 71804594

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)NCc2cccs2)c(C)o1
InChIInChI=1S/C16H20N2O4S/c1-10-8-13(11(2)22-10)14(19)5-6-17-15(20)16(21)18-9-12-4-3-7-23-12/h3-4,7-8,14,19H,5-6,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJHHMVYYBMJVZCR-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 71804594) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID71804594
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)NCc2cccs2)c(C)o1
InChIInChI=1S/C16H20N2O4S/c1-10-8-13(11(2)22-10)14(19)5-6-17-15(20)16(21)18-9-12-4-3-7-23-12/h3-4,7-8,14,19H,5-6,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJHHMVYYBMJVZCR-UHFFFAOYSA-N
XLogP1.81
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.81
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-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 71804594) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide is Cc1cc(C(O)CCNC(=O)C(=O)NCc2cccs2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is JHHMVYYBMJVZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-8-13(11(2)22-10)14(19)5-6-17-15(20)16(21)18-9-12-4-3-7-23-12/h3-4,7-8,14,19H,5-6,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 336.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 71804594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).