N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

C18H24N2O4S — CID 113143143

IUPACN-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCc2ccco2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H24N2O4S/c1-13-10-14(2)18(15(3)11-13)20(25(4,22)23)8-7-17(21)19-12-16-6-5-9-24-16/h5-6,9-11H,7-8,12H2,1-4H3,(H,19,21)
InChIKeyCANBPOBDYKXJCY-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.68
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143143) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143143
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCc2ccco2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H24N2O4S/c1-13-10-14(2)18(15(3)11-13)20(25(4,22)23)8-7-17(21)19-12-16-6-5-9-24-16/h5-6,9-11H,7-8,12H2,1-4H3,(H,19,21)
InChIKeyCANBPOBDYKXJCY-UHFFFAOYSA-N
XLogP2.68
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 34238896
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
N-(furan-2-ylmethyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1085413
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144323

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143143) is N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)c(N(CCC(=O)NCc2ccco2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is CANBPOBDYKXJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13-10-14(2)18(15(3)11-13)20(25(4,22)23)8-7-17(21)19-12-16-6-5-9-24-16/h5-6,9-11H,7-8,12H2,1-4H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 364.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).