N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide

C12H19NO3S — CID 113339313

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)C(C)CO)o1
InChIInChI=1S/C12H19NO3S/c1-8(6-14)9(2)13-12(15)11-5-4-10(16-11)7-17-3/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyGMENXWWIDQAGFM-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.89
Rot. Bonds6

About N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 113339313) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID113339313
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)C(C)CO)o1
InChIInChI=1S/C12H19NO3S/c1-8(6-14)9(2)13-12(15)11-5-4-10(16-11)7-17-3/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyGMENXWWIDQAGFM-UHFFFAOYSA-N
XLogP1.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
Furoyl-Leucine
CID 774282
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4883868
N-cycloheptyl-5-methylfuran-2-carboxamide
CID 897030
N-butan-2-yl-5-[(3-fluorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3495318
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 3505699
N-cyclopentyl-5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5215992
5-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 24981253
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 25162641

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 113339313) is N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)NC(C)C(C)CO)o1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is GMENXWWIDQAGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8(6-14)9(2)13-12(15)11-5-4-10(16-11)7-17-3/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 113339313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).