N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide

C12H19NO2S — CID 97318613

IUPACN-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide
SMILESCCSCC[C@@H](C)NC(=O)c1ccc(C)o1
InChIInChI=1S/C12H19NO2S/c1-4-16-8-7-9(2)13-12(14)11-6-5-10(3)15-11/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyKMGSLLRQCDRGGM-SECBINFHSA-N
MW241.36 g/mol
LogP2.85
Rot. Bonds6

About N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide

N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 97318613) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide
PubChem CID97318613
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide
SMILESCCSCC[C@@H](C)NC(=O)c1ccc(C)o1
InChIInChI=1S/C12H19NO2S/c1-4-16-8-7-9(2)13-12(14)11-6-5-10(3)15-11/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyKMGSLLRQCDRGGM-SECBINFHSA-N
XLogP2.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
N-(sec-butyl)-5-{[(2-chlorobenzyl)thio]methyl}-2-furamide
CID 3553402
N-butyl-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide
CID 3583186
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
N-(sec-butyl)-5-{[(4-chlorobenzyl)thio]methyl}-2-furamide
CID 3616502
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
5-{[(2-chlorobenzyl)thio]methyl}-N-isopropyl-2-furamide
CID 4533619

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide (CID 97318613) is N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide is CCSCC[C@@H](C)NC(=O)c1ccc(C)o1.
What is the InChIKey of N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is KMGSLLRQCDRGGM-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16-8-7-9(2)13-12(14)11-6-5-10(3)15-11/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide?
N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 97318613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).