N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide

C16H18N2O2S — CID 61302211

IUPACN-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
SMILESCc1ccc(S(=O)C(C)C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-7-9-13(10-8-11)21(20)12(2)16(19)18-15-6-4-3-5-14(15)17/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyZIJZCOKHTHRQGT-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.71
Rot. Bonds4

About N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide

N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide (PubChem CID 61302211) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
PubChem CID61302211
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
SMILESCc1ccc(S(=O)C(C)C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-7-9-13(10-8-11)21(20)12(2)16(19)18-15-6-4-3-5-14(15)17/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyZIJZCOKHTHRQGT-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.71
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-(2-bromophenyl)sulfinylpropanamide
CID 61288025
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
CID 64690239
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
(4R)-2-methyl-4-[(R)-(4-methylphenyl)sulfinyl]pentan-3-one
CID 10060133
N-[2-amino-4-(benzenesulfinyl)phenyl]-2-methylpropanamide
CID 70625096
(E)-N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfinylcarbonylamino]phenyl]prop-2-enamide
CID 142166420
N-(2-aminophenyl)acetamide;2-methanidylpropane;vanadium(2+)
CID 153457478

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide (CID 61302211) is N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide is Cc1ccc(S(=O)C(C)C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide?
The InChIKey is ZIJZCOKHTHRQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-7-9-13(10-8-11)21(20)12(2)16(19)18-15-6-4-3-5-14(15)17/h3-10,12H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide?
N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide is sourced from PubChem (CID 61302211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).