2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide

C17H19NO3S — CID 2984897

IUPAC2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-2-18(13-15-9-5-3-6-10-15)17(19)14-22(20,21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyMMBXDQBLEZSESV-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.51
Rot. Bonds6

About 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide

2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide (PubChem CID 2984897) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide
PubChem CID2984897
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-2-18(13-15-9-5-3-6-10-15)17(19)14-22(20,21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyMMBXDQBLEZSESV-UHFFFAOYSA-N
XLogP2.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide (CID 2984897) is 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide?
The InChIKey is MMBXDQBLEZSESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-18(13-15-9-5-3-6-10-15)17(19)14-22(20,21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide?
2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 2984897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).