N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide

C14H17NO3S — CID 103801373

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H17NO3S/c1-9(13(7-16)19-2)15-14(17)11-8-18-12-6-4-3-5-10(11)12/h3-6,8-9,13,16H,7H2,1-2H3,(H,15,17)
InChIKeyPRIQXVMDKMKFKL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.28
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 103801373) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
PubChem CID103801373
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H17NO3S/c1-9(13(7-16)19-2)15-14(17)11-8-18-12-6-4-3-5-10(11)12/h3-6,8-9,13,16H,7H2,1-2H3,(H,15,17)
InChIKeyPRIQXVMDKMKFKL-UHFFFAOYSA-N
XLogP2.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
5-bromo-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798744
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103801431
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
5-bromo-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 113264436

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide (CID 103801373) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide is CSC(CO)C(C)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is PRIQXVMDKMKFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9(13(7-16)19-2)15-14(17)11-8-18-12-6-4-3-5-10(11)12/h3-6,8-9,13,16H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103801373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).