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

C14H22N2O3S — CID 113066748

IUPACN-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-14(17)15-9-10-16(20(3,18)19)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyIZKLZHUBQPXPMA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds7

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

N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide (PubChem CID 113066748) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
PubChem CID113066748
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-14(17)15-9-10-16(20(3,18)19)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyIZKLZHUBQPXPMA-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
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
2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066750
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
The IUPAC name of N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide (CID 113066748) is N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide is CCC(=O)NCCN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
The InChIKey is IZKLZHUBQPXPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-14(17)15-9-10-16(20(3,18)19)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide?
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide is sourced from PubChem (CID 113066748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).