2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide

C15H24N2OS — CID 43302653

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1ccc(C)cc1N
InChIInChI=1S/C15H24N2OS/c1-6-15(4,5)17-14(18)11(3)19-13-8-7-10(2)9-12(13)16/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeyRLUOWFDBSYSZKO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide

2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43302653) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID43302653
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1ccc(C)cc1N
InChIInChI=1S/C15H24N2OS/c1-6-15(4,5)17-14(18)11(3)19-13-8-7-10(2)9-12(13)16/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeyRLUOWFDBSYSZKO-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.36
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

2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66356220
3-(2-amino-4-methylphenyl)sulfanylbutanoic acid
CID 14264292
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
CID 79141528
N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
CID 134060325
2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43122827
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)propanamide
CID 134037737
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81185373
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149425
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide (CID 43302653) is 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Sc1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is RLUOWFDBSYSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-6-15(4,5)17-14(18)11(3)19-13-8-7-10(2)9-12(13)16/h7-9,11H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 280.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43302653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).