2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide

C14H22N2O3S — CID 110408207

IUPAC2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)15-10-11-20(18,19)16-13-8-6-5-7-9-13/h5-9,12,16H,3-4,10-11H2,1-2H3,(H,15,17)
InChIKeyXRTGDIAZCXQJLT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.98
Rot. Bonds8

About 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide

2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide (PubChem CID 110408207) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
PubChem CID110408207
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)15-10-11-20(18,19)16-13-8-6-5-7-9-13/h5-9,12,16H,3-4,10-11H2,1-2H3,(H,15,17)
InChIKeyXRTGDIAZCXQJLT-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(phenylsulfamoyl)ethyl]-2-thiophen-2-ylpropanamide
CID 97215141
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
2-(4-methoxyphenyl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601294
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601301
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110606798
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 106335596
3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide
CID 110606779
3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide
CID 84584646

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide (CID 110408207) is 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide is CCC(CC)C(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The InChIKey is XRTGDIAZCXQJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)15-10-11-20(18,19)16-13-8-6-5-7-9-13/h5-9,12,16H,3-4,10-11H2,1-2H3,(H,15,17).
What are the key properties of 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide?
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 110408207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).