4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide

C19H31N3O4S — CID 53286534

IUPAC4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCOc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H31N3O4S/c1-4-26-18-9-7-17(8-10-18)22(27(3,24)25)13-5-6-19(23)20-16-11-14-21(2)15-12-16/h7-10,16H,4-6,11-15H2,1-3H3,(H,20,23)
InChIKeyXWEDJKICBOWDOV-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.84
Rot. Bonds9

About 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide

4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 53286534) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID53286534
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCOc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H31N3O4S/c1-4-26-18-9-7-17(8-10-18)22(27(3,24)25)13-5-6-19(23)20-16-11-14-21(2)15-12-16/h7-10,16H,4-6,11-15H2,1-3H3,(H,20,23)
InChIKeyXWEDJKICBOWDOV-UHFFFAOYSA-N
XLogP1.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155273
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132635388
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132631712
N-cyclohexyl-2-[4-(4-ethoxy-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]butanamide
CID 132630532
N-benzyl-N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 133175866
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
CID 53280919

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide (CID 53286534) is 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide is CCOc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is XWEDJKICBOWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-4-26-18-9-7-17(8-10-18)22(27(3,24)25)13-5-6-19(23)20-16-11-14-21(2)15-12-16/h7-10,16H,4-6,11-15H2,1-3H3,(H,20,23).
What are the key properties of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide?
4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 397.54 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 53286534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).