2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide

C15H24N2O2S — CID 81183646

IUPAC2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
SMILESCc1ccc(N)c(S(=O)C(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-10(2)7-8-17-15(18)12(4)20(19)14-9-11(3)5-6-13(14)16/h5-6,9-10,12H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyHXTJSTHOUKRTFP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide

2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide (PubChem CID 81183646) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
PubChem CID81183646
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
SMILESCc1ccc(N)c(S(=O)C(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-10(2)7-8-17-15(18)12(4)20(19)14-9-11(3)5-6-13(14)16/h5-6,9-10,12H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyHXTJSTHOUKRTFP-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
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-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81207002
2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81207237
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline
CID 81184073
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81182738
2-(2-amino-5-bromophenyl)sulfinyl-N-methylpropanamide
CID 81206667
2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81183756
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
2-(2-amino-5-chlorophenyl)sulfinyl-N-butan-2-ylpropanamide
CID 81180397

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide (CID 81183646) is 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide is Cc1ccc(N)c(S(=O)C(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide?
The InChIKey is HXTJSTHOUKRTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)7-8-17-15(18)12(4)20(19)14-9-11(3)5-6-13(14)16/h5-6,9-10,12H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide?
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 81183646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).