N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide

C14H21NO4S — CID 110627872

IUPACN-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
SMILESCOc1ccc(CCCNC(=O)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO4S/c1-19-13-7-5-12(6-8-13)4-3-10-15-14(16)9-11-20(2,17)18/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)
InChIKeyFNYZXCBEEMESNE-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.18
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide

N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide (PubChem CID 110627872) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
PubChem CID110627872
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
SMILESCOc1ccc(CCCNC(=O)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO4S/c1-19-13-7-5-12(6-8-13)4-3-10-15-14(16)9-11-20(2,17)18/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)
InChIKeyFNYZXCBEEMESNE-UHFFFAOYSA-N
XLogP1.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenyl)butyl]-3-methylsulfonylpropanamide
CID 110627922
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide (CID 110627872) is N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide is COc1ccc(CCCNC(=O)CCS(C)(=O)=O)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide?
The InChIKey is FNYZXCBEEMESNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-19-13-7-5-12(6-8-13)4-3-10-15-14(16)9-11-20(2,17)18/h5-8H,3-4,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide?
N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide has a molecular weight of 299.39 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110627872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).