3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide

C17H28N2O3S — CID 113142058

IUPAC3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-6-7-11-18-17(20)10-12-19(23(4,21)22)16-9-8-14(2)13-15(16)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,20)
InChIKeyWEQKFQLJUFURCY-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.77
Rot. Bonds9

About 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide (PubChem CID 113142058) 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-pentylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
PubChem CID113142058
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-6-7-11-18-17(20)10-12-19(23(4,21)22)16-9-8-14(2)13-15(16)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,20)
InChIKeyWEQKFQLJUFURCY-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068823
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide?
The IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide (CID 113142058) is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide is CCCCCNC(=O)CCN(c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide?
The InChIKey is WEQKFQLJUFURCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-6-7-11-18-17(20)10-12-19(23(4,21)22)16-9-8-14(2)13-15(16)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide?
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide has a molecular weight of 340.49 g/mol, XLogP of 2.77, 9 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-pentylpropanamide is sourced from PubChem (CID 113142058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).