N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide

C13H19ClN2O2S — CID 107753895

IUPACN-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
SMILESCC(C)CCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)5-6-19(18)8-13(17)16-12-4-3-10(15)7-11(12)14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyOUFCPEOUUNZMNG-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.66
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide

N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide (PubChem CID 107753895) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
PubChem CID107753895
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
SMILESCC(C)CCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)5-6-19(18)8-13(17)16-12-4-3-10(15)7-11(12)14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyOUFCPEOUUNZMNG-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.66
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-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 63660470
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(4-amino-2-chlorophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749068
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
CID 107767444
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide (CID 107753895) is N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide is CC(C)CCS(=O)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
The InChIKey is OUFCPEOUUNZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9(2)5-6-19(18)8-13(17)16-12-4-3-10(15)7-11(12)14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide has a molecular weight of 302.83 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide is sourced from PubChem (CID 107753895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).