3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

C14H21NO4S — CID 82951128

IUPAC3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO4S/c1-11(2)15(8-9-19-4)20(17,18)14-7-5-6-13(10-14)12(3)16/h5-7,10-11H,8-9H2,1-4H3
InChIKeyMPCFWROBZMUGAE-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.93
Rot. Bonds7

About 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82951128) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82951128
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO4S/c1-11(2)15(8-9-19-4)20(17,18)14-7-5-6-13(10-14)12(3)16/h5-7,10-11H,8-9H2,1-4H3
InChIKeyMPCFWROBZMUGAE-UHFFFAOYSA-N
XLogP1.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 82951128) is 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is MPCFWROBZMUGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(2)15(8-9-19-4)20(17,18)14-7-5-6-13(10-14)12(3)16/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82951128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).