2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide

C15H24N2O3S — CID 66611834

IUPAC2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide
SMILESCCC(NS(=O)(=O)CC)(C(N)=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-5-15(13(16)18,17-21(19,20)6-2)14(3,4)12-10-8-7-9-11-12/h7-11,17H,5-6H2,1-4H3,(H2,16,18)
InChIKeyPMHQYIFGFGUCLV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.54
Rot. Bonds7

About 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide

2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide (PubChem CID 66611834) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide
PubChem CID66611834
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide
SMILESCCC(NS(=O)(=O)CC)(C(N)=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-5-15(13(16)18,17-21(19,20)6-2)14(3,4)12-10-8-7-9-11-12/h7-11,17H,5-6H2,1-4H3,(H2,16,18)
InChIKeyPMHQYIFGFGUCLV-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide?
The IUPAC name of 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide (CID 66611834) is 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide?
The canonical SMILES for 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide is CCC(NS(=O)(=O)CC)(C(N)=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide?
The InChIKey is PMHQYIFGFGUCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-15(13(16)18,17-21(19,20)6-2)14(3,4)12-10-8-7-9-11-12/h7-11,17H,5-6H2,1-4H3,(H2,16,18).
What are the key properties of 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide?
2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 66611834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).