2-(benzenesulfonyl)-N,N-diethylacetamide

C12H17NO3S — CID 10332604

IUPAC2-(benzenesulfonyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-3-13(4-2)12(14)10-17(15,16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyKEAACMAWBWZGJR-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.33
Rot. Bonds5

About 2-(benzenesulfonyl)-N,N-diethylacetamide

2-(benzenesulfonyl)-N,N-diethylacetamide (PubChem CID 10332604) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N,N-diethylacetamide
PubChem CID10332604
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(benzenesulfonyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-3-13(4-2)12(14)10-17(15,16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyKEAACMAWBWZGJR-UHFFFAOYSA-N
XLogP1.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
CID 2818766
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
1-(Azepan-1-yl)-2-(benzenesulfonyl)ethanone
CID 851316
N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
2-(benzylsulfonyl)-N,N-diisobutylacetamide
CID 2218678
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 2971495
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N,N-diethylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N,N-diethylacetamide (CID 10332604) is 2-(benzenesulfonyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N,N-diethylacetamide?
The InChIKey is KEAACMAWBWZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-13(4-2)12(14)10-17(15,16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N,N-diethylacetamide?
2-(benzenesulfonyl)-N,N-diethylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N,N-diethylacetamide is sourced from PubChem (CID 10332604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).