2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide

C14H22N2O3S — CID 61068547

IUPAC2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-9-15-14(17)11(2)16-10-12-5-7-13(8-6-12)20(3,18)19/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyMKMMTFRCEGWMFS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.09
Rot. Bonds7

About 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide

2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide (PubChem CID 61068547) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
PubChem CID61068547
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-9-15-14(17)11(2)16-10-12-5-7-13(8-6-12)20(3,18)19/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyMKMMTFRCEGWMFS-UHFFFAOYSA-N
XLogP1.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703
N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61066956
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide (CID 61068547) is 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide?
The InChIKey is MKMMTFRCEGWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-9-15-14(17)11(2)16-10-12-5-7-13(8-6-12)20(3,18)19/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide?
2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 61068547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).