N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide

C15H24N2OS — CID 107748913

IUPACN-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N2OS/c1-4-11(2)10-19-8-7-15(18)17-14-9-13(16)6-5-12(14)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyNOYBLIOGVCWUGP-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.69
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide

N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide (PubChem CID 107748913) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
PubChem CID107748913
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N2OS/c1-4-11(2)10-19-8-7-15(18)17-14-9-13(16)6-5-12(14)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyNOYBLIOGVCWUGP-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
methyl 3-[3-(5-amino-2-methylanilino)-3-oxopropyl]sulfanylpropanoate
CID 43617765
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
CID 79481491
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
CID 22974122
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide (CID 107748913) is N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide is CCC(C)CSCCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide?
The InChIKey is NOYBLIOGVCWUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-11(2)10-19-8-7-15(18)17-14-9-13(16)6-5-12(14)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide?
N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide has a molecular weight of 280.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide is sourced from PubChem (CID 107748913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).