N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide

C13H20N2O3S — CID 61068703

IUPACN-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-14-13(16)10(2)15-9-11-5-7-12(8-6-11)19(3,17)18/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyIGXRENODOMUMML-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.70
Rot. Bonds6

About N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide

N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide (PubChem CID 61068703) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
PubChem CID61068703
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-14-13(16)10(2)15-9-11-5-7-12(8-6-11)19(3,17)18/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyIGXRENODOMUMML-UHFFFAOYSA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
CID 61068547
N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61066956
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
(2S)-3-hydroxy-2-[(4-methylsulfonylphenyl)methylamino]propanoic acid
CID 175923700
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide (CID 61068703) is N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide is CCNC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
The InChIKey is IGXRENODOMUMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-14-13(16)10(2)15-9-11-5-7-12(8-6-11)19(3,17)18/h5-8,10,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide has a molecular weight of 284.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide is sourced from PubChem (CID 61068703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).