N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide

C18H23N3O4S — CID 119527433

IUPACN-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCC(N)c2ccccc2)c1
InChIInChI=1S/C18H23N3O4S/c1-25-11-10-21-26(23,24)16-9-5-8-15(12-16)18(22)20-13-17(19)14-6-3-2-4-7-14/h2-9,12,17,21H,10-11,13,19H2,1H3,(H,20,22)
InChIKeySSJRLEBVJGLIDU-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.04
Rot. Bonds9

About N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide

N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 119527433) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID119527433
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCC(N)c2ccccc2)c1
InChIInChI=1S/C18H23N3O4S/c1-25-11-10-21-26(23,24)16-9-5-8-15(12-16)18(22)20-13-17(19)14-6-3-2-4-7-14/h2-9,12,17,21H,10-11,13,19H2,1H3,(H,20,22)
InChIKeySSJRLEBVJGLIDU-UHFFFAOYSA-N
XLogP1.04
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55652546

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide (CID 119527433) is N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCC(N)c2ccccc2)c1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is SSJRLEBVJGLIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-25-11-10-21-26(23,24)16-9-5-8-15(12-16)18(22)20-13-17(19)14-6-3-2-4-7-14/h2-9,12,17,21H,10-11,13,19H2,1H3,(H,20,22).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 119527433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).