3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide

C17H28N2O3S — CID 113142057

IUPAC3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCCC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-13(2)8-10-18-17(20)9-11-19(23(5,21)22)16-7-6-14(3)12-15(16)4/h6-7,12-13H,8-11H2,1-5H3,(H,18,20)
InChIKeyDGDWKSJIZDRCQM-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.62
Rot. Bonds8

About 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 113142057) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
PubChem CID113142057
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCCC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-13(2)8-10-18-17(20)9-11-19(23(5,21)22)16-7-6-14(3)12-15(16)4/h6-7,12-13H,8-11H2,1-5H3,(H,18,20)
InChIKeyDGDWKSJIZDRCQM-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113146504
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781
methyl 2-[[3-(3-methylbutylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145571
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
4-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
CID 133218516

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide (CID 113142057) is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide is Cc1ccc(N(CCC(=O)NCCC(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is DGDWKSJIZDRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(2)8-10-18-17(20)9-11-19(23(5,21)22)16-7-6-14(3)12-15(16)4/h6-7,12-13H,8-11H2,1-5H3,(H,18,20).
What are the key properties of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113142057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).