2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide

C14H22N2O3S — CID 47353320

IUPAC2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-11(5-2)14(17)15-12-7-9-13(10-8-12)16-20(18,19)6-3/h7-11,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyRKPUCYLQBOTYLO-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.82
Rot. Bonds7

About 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide

2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide (PubChem CID 47353320) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
PubChem CID47353320
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-11(5-2)14(17)15-12-7-9-13(10-8-12)16-20(18,19)6-3/h7-11,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyRKPUCYLQBOTYLO-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
N-[4-(2-ethylbutanoyl)phenyl]ethanesulfonamide
CID 43161166
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide (CID 47353320) is 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide?
The InChIKey is RKPUCYLQBOTYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-11(5-2)14(17)15-12-7-9-13(10-8-12)16-20(18,19)6-3/h7-11,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide?
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide has a molecular weight of 298.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide is sourced from PubChem (CID 47353320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).