N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide

C15H24N2O3S — CID 107753587

IUPACN-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
SMILESCCCCCS(=O)CCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C15H24N2O3S/c1-3-4-5-9-21(19)10-8-15(18)17-14-7-6-12(20-2)11-13(14)16/h6-7,11H,3-5,8-10,16H2,1-2H3,(H,17,18)
InChIKeyKQVQFTUPMNPNJZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.54
Rot. Bonds9

About N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide

N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide (PubChem CID 107753587) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
PubChem CID107753587
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
SMILESCCCCCS(=O)CCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C15H24N2O3S/c1-3-4-5-9-21(19)10-8-15(18)17-14-7-6-12(20-2)11-13(14)16/h6-7,11H,3-5,8-10,16H2,1-2H3,(H,17,18)
InChIKeyKQVQFTUPMNPNJZ-UHFFFAOYSA-N
XLogP2.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.54
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-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide (CID 107753587) is N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide is CCCCCS(=O)CCC(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide?
The InChIKey is KQVQFTUPMNPNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-5-9-21(19)10-8-15(18)17-14-7-6-12(20-2)11-13(14)16/h6-7,11H,3-5,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide?
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide is sourced from PubChem (CID 107753587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).