3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide

C16H18N2O4S — CID 6463975

IUPAC3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2O4S/c1-22-11-10-17-23(20,21)15-9-5-6-13(12-15)16(19)18-14-7-3-2-4-8-14/h2-9,12,17H,10-11H2,1H3,(H,18,19)
InChIKeyNCHVZDNEIHZRLD-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.86
Rot. Bonds7

About 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide

3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide (PubChem CID 6463975) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
PubChem CID6463975
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2O4S/c1-22-11-10-17-23(20,21)15-9-5-6-13(12-15)16(19)18-14-7-3-2-4-8-14/h2-9,12,17H,10-11H2,1H3,(H,18,19)
InChIKeyNCHVZDNEIHZRLD-UHFFFAOYSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.86
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-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide (CID 6463975) is 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide is COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide?
The InChIKey is NCHVZDNEIHZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-11-10-17-23(20,21)15-9-5-6-13(12-15)16(19)18-14-7-3-2-4-8-14/h2-9,12,17H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide?
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide is sourced from PubChem (CID 6463975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).