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

C14H16N2O4S — CID 121085924

IUPACN'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCc1ccsc1)c1ccco1
InChIInChI=1S/C14H16N2O4S/c1-14(19,11-3-2-5-20-11)9-16-13(18)12(17)15-7-10-4-6-21-8-10/h2-6,8,19H,7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyFSVSLIKCMXJCQT-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.98
Rot. Bonds5

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

N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide (PubChem CID 121085924) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
PubChem CID121085924
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCc1ccsc1)c1ccco1
InChIInChI=1S/C14H16N2O4S/c1-14(19,11-3-2-5-20-11)9-16-13(18)12(17)15-7-10-4-6-21-8-10/h2-6,8,19H,7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyFSVSLIKCMXJCQT-UHFFFAOYSA-N
XLogP0.98
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 59609658

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide (CID 121085924) is N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide is CC(O)(CNC(=O)C(=O)NCc1ccsc1)c1ccco1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide?
The InChIKey is FSVSLIKCMXJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-14(19,11-3-2-5-20-11)9-16-13(18)12(17)15-7-10-4-6-21-8-10/h2-6,8,19H,7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide?
N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide has a molecular weight of 308.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide is sourced from PubChem (CID 121085924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).