N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

C18H22N2O3S — CID 7468533

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(=O)NC(=O)NCc2ccco2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-8-12(2)14(4)17(13(11)3)24-10-16(21)20-18(22)19-9-15-6-5-7-23-15/h5-8H,9-10H2,1-4H3,(H2,19,20,21,22)
InChIKeyKJDHTKIAGFYRGQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.63
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (PubChem CID 7468533) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
PubChem CID7468533
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(=O)NC(=O)NCc2ccco2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-8-12(2)14(4)17(13(11)3)24-10-16(21)20-18(22)19-9-15-6-5-7-23-15/h5-8H,9-10H2,1-4H3,(H2,19,20,21,22)
InChIKeyKJDHTKIAGFYRGQ-UHFFFAOYSA-N
XLogP3.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
N-(furan-2-ylmethylcarbamoyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7556399
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66289917
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 46572831
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66229322
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2539549
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 40657057
N-(furan-2-ylmethylcarbamoyl)-2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9465218
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7170264
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18267560

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (CID 7468533) is N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is Cc1cc(C)c(C)c(SCC(=O)NC(=O)NCc2ccco2)c1C.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The InChIKey is KJDHTKIAGFYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-8-12(2)14(4)17(13(11)3)24-10-16(21)20-18(22)19-9-15-6-5-7-23-15/h5-8H,9-10H2,1-4H3,(H2,19,20,21,22).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide has a molecular weight of 346.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7468533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).