N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide

C15H17NO3S — CID 71804418

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C15H17NO3S/c1-20-14-5-3-2-4-12(14)15(18)16-8-6-13(17)11-7-9-19-10-11/h2-5,7,9-10,13,17H,6,8H2,1H3,(H,16,18)
InChIKeySLXLSGBYURGEKG-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.86
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide (PubChem CID 71804418) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
PubChem CID71804418
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C15H17NO3S/c1-20-14-5-3-2-4-12(14)15(18)16-8-6-13(17)11-7-9-19-10-11/h2-5,7,9-10,13,17H,6,8H2,1H3,(H,16,18)
InChIKeySLXLSGBYURGEKG-UHFFFAOYSA-N
XLogP2.86
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121132753
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
N-butyl-2-methylsulfanylbenzamide
CID 59510338

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide (CID 71804418) is N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCC(O)c1ccoc1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide?
The InChIKey is SLXLSGBYURGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20-14-5-3-2-4-12(14)15(18)16-8-6-13(17)11-7-9-19-10-11/h2-5,7,9-10,13,17H,6,8H2,1H3,(H,16,18).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide has a molecular weight of 291.37 g/mol, XLogP of 2.86, 6 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]-2-methylsulfanylbenzamide is sourced from PubChem (CID 71804418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).