3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide

C20H26N2O4S — CID 134045498

IUPAC3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)19(16-8-5-4-6-9-16)22-20(23)17-10-7-11-18(14-17)27(24,25)21-12-13-26-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyMBWDFCXVHKDLIS-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.74
Rot. Bonds9

About 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide

3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide (PubChem CID 134045498) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
PubChem CID134045498
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)19(16-8-5-4-6-9-16)22-20(23)17-10-7-11-18(14-17)27(24,25)21-12-13-26-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyMBWDFCXVHKDLIS-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.74
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-(5-methylhexan-2-yl)benzamide
CID 134019674
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
(2R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324356
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 55749562
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 42919490

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide (CID 134045498) is 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)C(C)C)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide?
The InChIKey is MBWDFCXVHKDLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)19(16-8-5-4-6-9-16)22-20(23)17-10-7-11-18(14-17)27(24,25)21-12-13-26-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide?
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide is sourced from PubChem (CID 134045498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).