N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide

C19H20N2O2S — CID 3682802

IUPACN-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1ccco1
InChIInChI=1S/C19H20N2O2S/c1-12-6-7-15-9-13(2)19(21-18(15)14(12)3)24-11-17(22)20-10-16-5-4-8-23-16/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeySZFZBJZBBUECDR-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.16
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 3682802) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID3682802
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1ccco1
InChIInChI=1S/C19H20N2O2S/c1-12-6-7-15-9-13(2)19(21-18(15)14(12)3)24-11-17(22)20-10-16-5-4-8-23-16/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeySZFZBJZBBUECDR-UHFFFAOYSA-N
XLogP4.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 17438789
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 55334790
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1134565
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468533
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 3682802) is N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is SZFZBJZBBUECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-6-7-15-9-13(2)19(21-18(15)14(12)3)24-11-17(22)20-10-16-5-4-8-23-16/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 340.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3682802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).