2-(2-methoxyethylsulfamoylamino)-1-phenylethanone

C11H16N2O4S — CID 114815339

IUPAC2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
SMILESCOCCNS(=O)(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-17-8-7-12-18(15,16)13-9-11(14)10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3
InChIKeyZUPSCKHFOVOICX-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.06
Rot. Bonds8

About 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone

2-(2-methoxyethylsulfamoylamino)-1-phenylethanone (PubChem CID 114815339) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
PubChem CID114815339
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
SMILESCOCCNS(=O)(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-17-8-7-12-18(15,16)13-9-11(14)10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3
InChIKeyZUPSCKHFOVOICX-UHFFFAOYSA-N
XLogP-0.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
ethyl N-(phenacylsulfamoyl)carbamate
CID 114463715
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
3-methoxy-1-phenylpropan-1-one
CID 10942788
2,2-dimethyl-N-phenacylpropane-1-sulfonamide
CID 64994451
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-methoxy-2-(phenacylamino)propanoic acid
CID 22284590
N-(ethylsulfamoyl)benzamide
CID 154250118
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone?
The IUPAC name of 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone (CID 114815339) is 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone.
What is the SMILES notation for 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone?
The canonical SMILES for 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone is COCCNS(=O)(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone?
The InChIKey is ZUPSCKHFOVOICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-8-7-12-18(15,16)13-9-11(14)10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone?
2-(2-methoxyethylsulfamoylamino)-1-phenylethanone has a molecular weight of 272.33 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfamoylamino)-1-phenylethanone is sourced from PubChem (CID 114815339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).