N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide

C15H24N2O3S — CID 107753666

IUPACN-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
SMILESCOc1ccc(N)cc1NC(=O)C(C)S(=O)C(C)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-9(2)10(3)21(19)11(4)15(18)17-13-8-12(16)6-7-14(13)20-5/h6-11H,16H2,1-5H3,(H,17,18)
InChIKeySEUYPACUIZIBBR-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.40
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide

N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide (PubChem CID 107753666) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
PubChem CID107753666
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
SMILESCOc1ccc(N)cc1NC(=O)C(C)S(=O)C(C)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-9(2)10(3)21(19)11(4)15(18)17-13-8-12(16)6-7-14(13)20-5/h6-11H,16H2,1-5H3,(H,17,18)
InChIKeySEUYPACUIZIBBR-UHFFFAOYSA-N
XLogP2.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
CID 16783991
N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
CID 102980701
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-2-[ethyl(propyl)amino]propanamide
CID 43268403
N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650260
N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753805
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753824
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide (CID 107753666) is N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide is COc1ccc(N)cc1NC(=O)C(C)S(=O)C(C)C(C)C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide?
The InChIKey is SEUYPACUIZIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9(2)10(3)21(19)11(4)15(18)17-13-8-12(16)6-7-14(13)20-5/h6-11H,16H2,1-5H3,(H,17,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide?
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide is sourced from PubChem (CID 107753666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).