2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide

C17H28N2O3S — CID 113066757

IUPAC2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-16(6-2)17(20)18-11-12-19(23(4,21)22)13-15-9-7-14(3)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3,(H,18,20)
InChIKeyKZTHHJGDHFSPOS-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.31
Rot. Bonds9

About 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide

2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide (PubChem CID 113066757) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
PubChem CID113066757
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-16(6-2)17(20)18-11-12-19(23(4,21)22)13-15-9-7-14(3)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3,(H,18,20)
InChIKeyKZTHHJGDHFSPOS-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066750
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113067211
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
CID 113066227
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
N-[2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]ethyl]-4-methylbenzamide
CID 113067217
N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113139013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide (CID 113066757) is 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide is CCC(CC)C(=O)NCCN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide?
The InChIKey is KZTHHJGDHFSPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-16(6-2)17(20)18-11-12-19(23(4,21)22)13-15-9-7-14(3)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3,(H,18,20).
What are the key properties of 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide?
2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide has a molecular weight of 340.49 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide is sourced from PubChem (CID 113066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).