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

C14H22N2O4S — CID 43615944

IUPACN-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
SMILESCCCCS(=O)(=O)CCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C14H22N2O4S/c1-3-4-8-21(18,19)9-7-14(17)16-13-6-5-11(20-2)10-12(13)15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyOSHCLLLZTATMIG-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.82
Rot. Bonds8

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

N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide (PubChem CID 43615944) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
PubChem CID43615944
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
SMILESCCCCS(=O)(=O)CCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C14H22N2O4S/c1-3-4-8-21(18,19)9-7-14(17)16-13-6-5-11(20-2)10-12(13)15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyOSHCLLLZTATMIG-UHFFFAOYSA-N
XLogP1.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide (CID 43615944) is N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide is CCCCS(=O)(=O)CCC(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide?
The InChIKey is OSHCLLLZTATMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-4-8-21(18,19)9-7-14(17)16-13-6-5-11(20-2)10-12(13)15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide?
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide is sourced from PubChem (CID 43615944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).