2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide

C12H19NO2S — CID 112780782

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSCc1ccco1
InChIInChI=1S/C12H19NO2S/c1-9(2)10(3)13-12(14)8-16-7-11-5-4-6-15-11/h4-6,9-10H,7-8H2,1-3H3,(H,13,14)
InChIKeyOUSACFALGMCMHR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.67
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 112780782) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID112780782
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSCc1ccco1
InChIInChI=1S/C12H19NO2S/c1-9(2)10(3)13-12(14)8-16-7-11-5-4-6-15-11/h4-6,9-10H,7-8H2,1-3H3,(H,13,14)
InChIKeyOUSACFALGMCMHR-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 78828363
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
CID 95158742
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94828776
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 43049377

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide (CID 112780782) is 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CSCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is OUSACFALGMCMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(2)10(3)13-12(14)8-16-7-11-5-4-6-15-11/h4-6,9-10H,7-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 112780782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).