N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C15H17NO2S — CID 676282

IUPACN-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NCc1ccco1
InChIInChI=1S/C15H17NO2S/c1-12-5-2-3-6-13(12)10-19-11-15(17)16-9-14-7-4-8-18-14/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyHIKGELSNAIKQBI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.14
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 676282) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID676282
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NCc1ccco1
InChIInChI=1S/C15H17NO2S/c1-12-5-2-3-6-13(12)10-19-11-15(17)16-9-14-7-4-8-18-14/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyHIKGELSNAIKQBI-UHFFFAOYSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 4184529
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 79683092
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 676282) is N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is HIKGELSNAIKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-5-2-3-6-13(12)10-19-11-15(17)16-9-14-7-4-8-18-14/h2-8H,9-11H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 275.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 676282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).