2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

C15H24N2O4S — CID 51086734

IUPAC2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CCS(=O)(=O)c1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C15H24N2O4S/c1-16(2)15(18)13-17(9-11-21-3)10-12-22(19,20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyVDDYPOCIZUMEKQ-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.50
Rot. Bonds9

About 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 51086734) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID51086734
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CCS(=O)(=O)c1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C15H24N2O4S/c1-16(2)15(18)13-17(9-11-21-3)10-12-22(19,20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyVDDYPOCIZUMEKQ-UHFFFAOYSA-N
XLogP0.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 51086734) is 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CCS(=O)(=O)c1ccccc1)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is VDDYPOCIZUMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-16(2)15(18)13-17(9-11-21-3)10-12-22(19,20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 328.43 g/mol, XLogP of 0.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 51086734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).