N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide

C14H22N2OS — CID 107748924

IUPACN-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2OS/c1-4-10(2)9-18-11(3)14(17)16-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyUVZUVRLIWDKSLF-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.38
Rot. Bonds6

About N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide

N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide (PubChem CID 107748924) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
PubChem CID107748924
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2OS/c1-4-10(2)9-18-11(3)14(17)16-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyUVZUVRLIWDKSLF-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751658
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide (CID 107748924) is N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide is CCC(C)CSC(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide?
The InChIKey is UVZUVRLIWDKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-10(2)9-18-11(3)14(17)16-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide?
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide has a molecular weight of 266.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide is sourced from PubChem (CID 107748924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).