2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide

C12H16ClNO4S — CID 17225063

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO4S/c1-18-7-6-14-12(15)9-19(16,17)8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyQAZSXMGGLXLNLB-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.02
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide (PubChem CID 17225063) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
PubChem CID17225063
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO4S/c1-18-7-6-14-12(15)9-19(16,17)8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyQAZSXMGGLXLNLB-UHFFFAOYSA-N
XLogP1.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.02
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

2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
CID 17225153
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82181706
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide (CID 17225063) is 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is QAZSXMGGLXLNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-18-7-6-14-12(15)9-19(16,17)8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 305.78 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 17225063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).