N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide

C15H24N2O3S — CID 61066956

IUPACN-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-11(2)17-15(18)12(3)16-10-13-6-8-14(9-7-13)21(4,19)20/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyINGZVSOFLWMGQR-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.48
Rot. Bonds7

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

N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide (PubChem CID 61066956) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
PubChem CID61066956
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-11(2)17-15(18)12(3)16-10-13-6-8-14(9-7-13)21(4,19)20/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyINGZVSOFLWMGQR-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
CID 61068547
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
CID 110771263
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
N-butan-2-yl-4-[[[N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111613427
N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067130
2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60875982
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
(2S)-3-hydroxy-2-[(4-methylsulfonylphenyl)methylamino]propanoic acid
CID 175923700
(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide (CID 61066956) is N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide is CCC(C)NC(=O)C(C)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
The InChIKey is INGZVSOFLWMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-11(2)17-15(18)12(3)16-10-13-6-8-14(9-7-13)21(4,19)20/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide?
N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide is sourced from PubChem (CID 61066956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).