2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide

C17H22N2O4S — CID 6490149

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)cc(N(C(C)C(=O)NCc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S/c1-12-8-13(2)10-15(9-12)19(24(4,21)22)14(3)17(20)18-11-16-6-5-7-23-16/h5-10,14H,11H2,1-4H3,(H,18,20)
InChIKeyIBNZLSYREWPIQH-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.37
Rot. Bonds6

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 6490149) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID6490149
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)cc(N(C(C)C(=O)NCc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S/c1-12-8-13(2)10-15(9-12)19(24(4,21)22)14(3)17(20)18-11-16-6-5-7-23-16/h5-10,14H,11H2,1-4H3,(H,18,20)
InChIKeyIBNZLSYREWPIQH-UHFFFAOYSA-N
XLogP2.37
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 2222477
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 125062660
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 43834723
N-(furan-2-ylmethyl)-2-[[(2S)-2-(4-methyl-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 2234210
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125072391
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
N-(furan-2-ylmethyl)-2-[[(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]amino]benzamide
CID 126146621
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide (CID 6490149) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide is Cc1cc(C)cc(N(C(C)C(=O)NCc2ccco2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is IBNZLSYREWPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12-8-13(2)10-15(9-12)19(24(4,21)22)14(3)17(20)18-11-16-6-5-7-23-16/h5-10,14H,11H2,1-4H3,(H,18,20).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 350.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 6490149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).