N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide

C13H20N2O3S — CID 60842770

IUPACN-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCCNC)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-19(17,18)12-8-6-11(7-9-12)15-13(16)5-4-10-14-2/h6-9,14H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyRIOZODWNNJDCKS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.42
Rot. Bonds7

About N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide

N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide (PubChem CID 60842770) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
PubChem CID60842770
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCCNC)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-19(17,18)12-8-6-11(7-9-12)15-13(16)5-4-10-14-2/h6-9,14H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyRIOZODWNNJDCKS-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide (CID 60842770) is N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide is CCS(=O)(=O)c1ccc(NC(=O)CCCNC)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide?
The InChIKey is RIOZODWNNJDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-19(17,18)12-8-6-11(7-9-12)15-13(16)5-4-10-14-2/h6-9,14H,3-5,10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide?
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60842770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).