2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide

C19H24N2O4S — CID 3114017

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-25-14-8-13-20-19(22)16-21(15-17-9-4-2-5-10-17)26(23,24)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)
InChIKeyMLOFEDJMYQTOPX-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.03
Rot. Bonds10

About 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 3114017) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID3114017
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-25-14-8-13-20-19(22)16-21(15-17-9-4-2-5-10-17)26(23,24)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)
InChIKeyMLOFEDJMYQTOPX-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide (CID 3114017) is 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is MLOFEDJMYQTOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-14-8-13-20-19(22)16-21(15-17-9-4-2-5-10-17)26(23,24)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 3114017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).