N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide

C13H19ClN2O3S — CID 63856685

IUPACN-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
SMILESCOCCCS(=O)CCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-19-6-2-7-20(18)8-5-13(17)16-12-4-3-10(15)9-11(12)14/h3-4,9H,2,5-8,15H2,1H3,(H,16,17)
InChIKeyGFVZXDQGTZOAOH-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.04
Rot. Bonds8

About N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide

N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide (PubChem CID 63856685) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
PubChem CID63856685
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
SMILESCOCCCS(=O)CCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-19-6-2-7-20(18)8-5-13(17)16-12-4-3-10(15)9-11(12)14/h3-4,9H,2,5-8,15H2,1H3,(H,16,17)
InChIKeyGFVZXDQGTZOAOH-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-(3-methoxypropylsulfinyl)propanamide
CID 81332822
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(2-amino-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 63660470

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide (CID 63856685) is N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide is COCCCS(=O)CCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide?
The InChIKey is GFVZXDQGTZOAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-19-6-2-7-20(18)8-5-13(17)16-12-4-3-10(15)9-11(12)14/h3-4,9H,2,5-8,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide?
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide has a molecular weight of 318.83 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide is sourced from PubChem (CID 63856685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).