N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide

C14H16N2O4S — CID 71804472

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCC(O)c1ccoc1)C(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O4S/c17-12(10-4-6-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-7-21-11/h1-2,4,6-7,9,12,17H,3,5,8H2,(H,15,18)(H,16,19)
InChIKeyMYPAXJDOAXBAHH-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.20
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 71804472) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID71804472
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCC(O)c1ccoc1)C(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O4S/c17-12(10-4-6-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-7-21-11/h1-2,4,6-7,9,12,17H,3,5,8H2,(H,15,18)(H,16,19)
InChIKeyMYPAXJDOAXBAHH-UHFFFAOYSA-N
XLogP1.20
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 71804472) is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCCC(O)c1ccoc1)C(=O)NCc1cccs1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is MYPAXJDOAXBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-12(10-4-6-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-7-21-11/h1-2,4,6-7,9,12,17H,3,5,8H2,(H,15,18)(H,16,19).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 308.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 71804472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).