N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide

C17H20N2O4S — CID 51097768

IUPACN-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCOC(CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-12-8-9-14(24(18,21)22)10-15(12)17(20)19-11-16(23-2)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyHJUWJFJPVFJSNY-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.76
Rot. Bonds6

About N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide

N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 51097768) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID51097768
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCOC(CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-12-8-9-14(24(18,21)22)10-15(12)17(20)19-11-16(23-2)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyHJUWJFJPVFJSNY-UHFFFAOYSA-N
XLogP1.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methoxy-2-phenylethyl]-2-methyl-5-sulfamoylbenzamide
CID 94815936
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-sulfamoylbenzamide
CID 27772015
N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
CID 46433416
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide (CID 51097768) is N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide is COC(CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is HJUWJFJPVFJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-8-9-14(24(18,21)22)10-15(12)17(20)19-11-16(23-2)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide?
N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 51097768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).