N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide

C16H24N2O2S — CID 63119626

IUPACN-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)S(=O)CC1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-11-7-8-14(17)9-15(11)18-16(19)12(2)21(20)10-13-5-3-4-6-13/h7-9,12-13H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyFMOPPBUSKMRBJZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.84
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide

N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide (PubChem CID 63119626) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
PubChem CID63119626
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)S(=O)CC1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-11-7-8-14(17)9-15(11)18-16(19)12(2)21(20)10-13-5-3-4-6-13/h7-9,12-13H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyFMOPPBUSKMRBJZ-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.84
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-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120569096
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide (CID 63119626) is N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide is Cc1ccc(N)cc1NC(=O)C(C)S(=O)CC1CCCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide?
The InChIKey is FMOPPBUSKMRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-7-8-14(17)9-15(11)18-16(19)12(2)21(20)10-13-5-3-4-6-13/h7-9,12-13H,3-6,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide?
N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide has a molecular weight of 308.45 g/mol, XLogP of 2.84, 5 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)-2-(cyclopentylmethylsulfinyl)propanamide is sourced from PubChem (CID 63119626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).