2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide

C12H17NO4S — CID 47119405

IUPAC2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-10(12(14)13-8-9-17-2)18(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyXXVMILUYOSNRGG-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.61
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide

2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide (PubChem CID 47119405) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
PubChem CID47119405
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-10(12(14)13-8-9-17-2)18(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyXXVMILUYOSNRGG-UHFFFAOYSA-N
XLogP0.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
1-(benzenesulfonyl)-N-(2-methoxyethyl)ethanamine;oxalic acid
CID 14050282
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 94149721

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide (CID 47119405) is 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is XXVMILUYOSNRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-10(12(14)13-8-9-17-2)18(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide?
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 47119405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).