2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide

C11H16N2O3S — CID 2233642

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-3-13(9-11(14)12-2)17(15,16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,12,14)
InChIKeyPBNQFTHFWMSWBN-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.44
Rot. Bonds5

About 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide

2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide (PubChem CID 2233642) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide
PubChem CID2233642
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-3-13(9-11(14)12-2)17(15,16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,12,14)
InChIKeyPBNQFTHFWMSWBN-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide (CID 2233642) is 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide?
The InChIKey is PBNQFTHFWMSWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-13(9-11(14)12-2)17(15,16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,12,14).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide?
2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-methylacetamide is sourced from PubChem (CID 2233642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).