4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide

C16H26N2O4S — CID 53288183

IUPAC4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-13-10-14(2)12-15(11-13)18(23(4,20)21)8-5-6-16(19)17-7-9-22-3/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyDBCDFFNKKGUIDE-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.61
Rot. Bonds9

About 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide

4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide (PubChem CID 53288183) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
PubChem CID53288183
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-13-10-14(2)12-15(11-13)18(23(4,20)21)8-5-6-16(19)17-7-9-22-3/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyDBCDFFNKKGUIDE-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
methyl 4-(3,5-dimethyl-N-methylsulfonylanilino)butanoate
CID 91671548
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
N-[[4-(dimethylamino)phenyl]methyl]-4-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 53288361
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]butanamide
CID 100539205
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 100537167
N-(3-methoxypropyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286873
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide (CID 53288183) is 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
The InChIKey is DBCDFFNKKGUIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-10-14(2)12-15(11-13)18(23(4,20)21)8-5-6-16(19)17-7-9-22-3/h10-12H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide has a molecular weight of 342.46 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 53288183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).