N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide

C14H22N2O3S — CID 60925806

IUPACN,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(15-10-9-14(17)16(2)3)12-5-7-13(8-6-12)20(4,18)19/h5-8,11,15H,9-10H2,1-4H3
InChIKeyWJMPLIZTDILTFB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.22
Rot. Bonds6

About N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide

N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide (PubChem CID 60925806) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
PubChem CID60925806
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(15-10-9-14(17)16(2)3)12-5-7-13(8-6-12)20(4,18)19/h5-8,11,15H,9-10H2,1-4H3
InChIKeyWJMPLIZTDILTFB-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
methyl 4-[1-(4-methylsulfonylphenyl)ethylamino]butanoate
CID 60782665
N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115576547
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
CID 63868541
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553
N-[1-(4-methylsulfonylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43207436
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide (CID 60925806) is N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide is CC(NCCC(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide?
The InChIKey is WJMPLIZTDILTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(15-10-9-14(17)16(2)3)12-5-7-13(8-6-12)20(4,18)19/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide?
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide is sourced from PubChem (CID 60925806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).