N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide

C13H15NO3S — CID 71804400

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCC(O)c2ccoc2)c1
InChIInChI=1S/C13H15NO3S/c1-9-6-12(18-8-9)13(16)14-4-2-11(15)10-3-5-17-7-10/h3,5-8,11,15H,2,4H2,1H3,(H,14,16)
InChIKeyGUYQXTFCXDCDNV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.50
Rot. Bonds5

About N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide (PubChem CID 71804400) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide
PubChem CID71804400
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCC(O)c2ccoc2)c1
InChIInChI=1S/C13H15NO3S/c1-9-6-12(18-8-9)13(16)14-4-2-11(15)10-3-5-17-7-10/h3,5-8,11,15H,2,4H2,1H3,(H,14,16)
InChIKeyGUYQXTFCXDCDNV-UHFFFAOYSA-N
XLogP2.50
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 896042
N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 9404152
N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide
CID 1245657
5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide
CID 2542372
1-(2-(Furan-3-yl)-2-hydroxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 71798413
1-[3-(Furan-3-YL)-3-hydroxypropyl]-3-(thiophen-2-YL)urea
CID 71804496
5-Chloro-N-[3-(2,5-dimethylfuran-3-YL)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71804525
N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]furan-3-carboxamide
CID 177638475
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2,5-dimethylfuran-3-carboxamide
CID 52992592
N-((2,5-dimethylfuran-3-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 56765541
N-[3-hydroxy-2-(2-thienylmethyl)propyl]-2-methyl-3-furamide
CID 56746305

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide (CID 71804400) is N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCC(O)c2ccoc2)c1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide?
The InChIKey is GUYQXTFCXDCDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-6-12(18-8-9)13(16)14-4-2-11(15)10-3-5-17-7-10/h3,5-8,11,15H,2,4H2,1H3,(H,14,16).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71804400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).