N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide

C15H22N2O4S — CID 119421581

IUPACN-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
SMILESCOc1ccc(N)c(NC(=O)CCS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-21-11-6-7-13(16)14(10-11)17-15(18)8-9-22(19,20)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,16H2,1H3,(H,17,18)
InChIKeyYBQVXYFLUURKPY-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.96
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide

N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide (PubChem CID 119421581) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
PubChem CID119421581
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
SMILESCOc1ccc(N)c(NC(=O)CCS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-21-11-6-7-13(16)14(10-11)17-15(18)8-9-22(19,20)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,16H2,1H3,(H,17,18)
InChIKeyYBQVXYFLUURKPY-UHFFFAOYSA-N
XLogP1.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide (CID 119421581) is N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide is COc1ccc(N)c(NC(=O)CCS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide?
The InChIKey is YBQVXYFLUURKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-11-6-7-13(16)14(10-11)17-15(18)8-9-22(19,20)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide?
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide is sourced from PubChem (CID 119421581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).