2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide

C13H19ClN2O2S — CID 81181954

IUPAC2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-8(2)7-16-13(17)9(3)19(18)12-5-4-10(15)6-11(12)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyAJUHKSXGFAVQPT-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide

2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide (PubChem CID 81181954) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
PubChem CID81181954
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-8(2)7-16-13(17)9(3)19(18)12-5-4-10(15)6-11(12)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyAJUHKSXGFAVQPT-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.19
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-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(4-amino-2-chlorophenyl)sulfinylbutanamide
CID 81181559
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 81200685
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
[2-(2-methylpropylamino)-2-oxoethyl] 4-amino-2-chlorobenzoate
CID 61320883
3-chloro-4-(4-methylpentylsulfinyl)aniline
CID 83162926
2-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
CID 61303594
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide (CID 81181954) is 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)S(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide?
The InChIKey is AJUHKSXGFAVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-8(2)7-16-13(17)9(3)19(18)12-5-4-10(15)6-11(12)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide?
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide has a molecular weight of 302.83 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 81181954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).