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

C15H24N2O3S — CID 113066750

IUPAC2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
SMILESCc1ccc(CN(CCNC(=O)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)15(18)16-9-10-17(21(4,19)20)11-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,16,18)
InChIKeyIXACYQUGTKYPAE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.53
Rot. Bonds7

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

2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide (PubChem CID 113066750) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
PubChem CID113066750
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
SMILESCc1ccc(CN(CCNC(=O)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)15(18)16-9-10-17(21(4,19)20)11-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,16,18)
InChIKeyIXACYQUGTKYPAE-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
N-[2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]ethyl]-4-methylbenzamide
CID 113067217
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide (CID 113066750) is 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide is Cc1ccc(CN(CCNC(=O)C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
The InChIKey is IXACYQUGTKYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)15(18)16-9-10-17(21(4,19)20)11-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide is sourced from PubChem (CID 113066750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).