N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide

C15H24N2OS — CID 115591536

IUPACN-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
SMILESCSc1ccc(CNC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-11(2)9-17-15(18)12(3)16-10-13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyGLPRKBMKGLKAST-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.66
Rot. Bonds7

About N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide

N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide (PubChem CID 115591536) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
PubChem CID115591536
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
SMILESCSc1ccc(CNC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-11(2)9-17-15(18)12(3)16-10-13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyGLPRKBMKGLKAST-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
CID 115579712
ethyl 2-[(4-methylsulfanylphenyl)methylamino]propanoate
CID 54960333
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
2-[(3-cyano-4-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107880417
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994629
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
2-(benzylamino)-1-(4-methylsulfanylphenyl)propan-1-one;hydrochloride
CID 165361609
N-(2-fluoroethyl)-2-[(4-methylsulfanylphenyl)methylcarbamoylamino]propanamide
CID 119051485
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide (CID 115591536) is N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide is CSc1ccc(CNC(C)C(=O)NCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide?
The InChIKey is GLPRKBMKGLKAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)9-17-15(18)12(3)16-10-13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide?
N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide has a molecular weight of 280.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide is sourced from PubChem (CID 115591536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).