2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide

C15H24N2O3S — CID 43834723

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-6-7-16-15(18)13(4)17(21(5,19)20)14-9-11(2)8-12(3)10-14/h8-10,13H,6-7H2,1-5H3,(H,16,18)
InChIKeyWCFKVKLVMBYZRM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.98
Rot. Bonds6

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide (PubChem CID 43834723) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
PubChem CID43834723
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-6-7-16-15(18)13(4)17(21(5,19)20)14-9-11(2)8-12(3)10-14/h8-10,13H,6-7H2,1-5H3,(H,16,18)
InChIKeyWCFKVKLVMBYZRM-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 132662116
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125072391
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 6490149
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2235805
(2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2232282
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 125062660
methyl (2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanoate
CID 967747
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]propanamide
CID 28569731
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 125052137
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7473261

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide (CID 43834723) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide is CCCNC(=O)C(C)N(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide?
The InChIKey is WCFKVKLVMBYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-7-16-15(18)13(4)17(21(5,19)20)14-9-11(2)8-12(3)10-14/h8-10,13H,6-7H2,1-5H3,(H,16,18).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide is sourced from PubChem (CID 43834723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).