N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide

C16H26N2O4S — CID 113144781

IUPACN-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)CCN(c1ccccc1OCC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-4-6-12-17-16(19)11-13-18(23(3,20)21)14-9-7-8-10-15(14)22-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyWWIFLMBRUOJIBV-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.16
Rot. Bonds10

About N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide

N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144781) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144781
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)CCN(c1ccccc1OCC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-4-6-12-17-16(19)11-13-18(23(3,20)21)14-9-7-8-10-15(14)22-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyWWIFLMBRUOJIBV-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.16
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

3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53286560
N-[(4-bromophenyl)methyl]-N-[1-(butylamino)-1-oxopropan-2-yl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
CID 133152357
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
4-(2-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165754

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide (CID 113144781) is N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide is CCCCNC(=O)CCN(c1ccccc1OCC)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is WWIFLMBRUOJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-6-12-17-16(19)11-13-18(23(3,20)21)14-9-7-8-10-15(14)22-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 342.46 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).