N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide

C12H13NO3S — CID 111452151

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
SMILESCC(O)(CNC(=O)c1ccco1)c1ccsc1
InChIInChI=1S/C12H13NO3S/c1-12(15,9-4-6-17-7-9)8-13-11(14)10-3-2-5-16-10/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyNVRPATYCDGCERC-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.98
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide (PubChem CID 111452151) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
PubChem CID111452151
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
SMILESCC(O)(CNC(=O)c1ccco1)c1ccsc1
InChIInChI=1S/C12H13NO3S/c1-12(15,9-4-6-17-7-9)8-13-11(14)10-3-2-5-16-10/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyNVRPATYCDGCERC-UHFFFAOYSA-N
XLogP1.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide 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-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
CID 111452029
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide
CID 97020043
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
CID 111452131
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide (CID 111452151) is N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide is CC(O)(CNC(=O)c1ccco1)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide?
The InChIKey is NVRPATYCDGCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-12(15,9-4-6-17-7-9)8-13-11(14)10-3-2-5-16-10/h2-7,15H,8H2,1H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 111452151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).