N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide

C15H24N2O3S — CID 107753824

IUPACN-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
SMILESCCC(C)CS(=O)CCC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3S/c1-4-11(2)10-21(19)8-7-15(18)17-13-9-12(16)5-6-14(13)20-3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyPDTPKFIBVPAGBZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.40
Rot. Bonds8

About N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide

N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide (PubChem CID 107753824) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
PubChem CID107753824
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
SMILESCCC(C)CS(=O)CCC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3S/c1-4-11(2)10-21(19)8-7-15(18)17-13-9-12(16)5-6-14(13)20-3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyPDTPKFIBVPAGBZ-UHFFFAOYSA-N
XLogP2.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-(2-methylbutylsulfinyl)acetamide
CID 107753805
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-(3-amino-4-chlorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753767
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide (CID 107753824) is N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide is CCC(C)CS(=O)CCC(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide?
The InChIKey is PDTPKFIBVPAGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-11(2)10-21(19)8-7-15(18)17-13-9-12(16)5-6-14(13)20-3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide?
N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.40, 8 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)-3-(2-methylbutylsulfinyl)propanamide is sourced from PubChem (CID 107753824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).