N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide

C18H22N2O4S — CID 119419905

IUPACN-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccc(OC)c(OC)c2)cc1N
InChIInChI=1S/C18H22N2O4S/c1-22-15-6-4-12(10-14(15)19)20-18(21)8-9-25-13-5-7-16(23-2)17(11-13)24-3/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21)
InChIKeyZIANPLGUUVJRBN-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.42
Rot. Bonds8

About N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide

N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide (PubChem CID 119419905) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
PubChem CID119419905
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccc(OC)c(OC)c2)cc1N
InChIInChI=1S/C18H22N2O4S/c1-22-15-6-4-12(10-14(15)19)20-18(21)8-9-25-13-5-7-16(23-2)17(11-13)24-3/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21)
InChIKeyZIANPLGUUVJRBN-UHFFFAOYSA-N
XLogP3.42
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide;hydrochloride
CID 119419882
3-[3-[3-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]phenyl]propanoic acid
CID 120613867
3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
CID 119438401
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119618647
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119420214
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
CID 33307064
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide (CID 119419905) is N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide is COc1ccc(NC(=O)CCSc2ccc(OC)c(OC)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide?
The InChIKey is ZIANPLGUUVJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-22-15-6-4-12(10-14(15)19)20-18(21)8-9-25-13-5-7-16(23-2)17(11-13)24-3/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide?
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 119419905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).