2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride

C20H28ClN3O3S — CID 120587270

IUPAC2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-4-23(5-2)27(25,26)18-13-11-16(12-14-18)15-22-19(24)20(3,21)17-9-7-6-8-10-17;/h6-14H,4-5,15,21H2,1-3H3,(H,22,24);1H
InChIKeyPHWWHUDYKAWPMD-UHFFFAOYSA-N
MW425.98 g/mol
LogP2.63
Rot. Bonds8

About 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120587270) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
PubChem CID120587270
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC Name2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-4-23(5-2)27(25,26)18-13-11-16(12-14-18)15-22-19(24)20(3,21)17-9-7-6-8-10-17;/h6-14H,4-5,15,21H2,1-3H3,(H,22,24);1H
InChIKeyPHWWHUDYKAWPMD-UHFFFAOYSA-N
XLogP2.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 120589424
2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119691062
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride (CID 120587270) is 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is PHWWHUDYKAWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.ClH/c1-4-23(5-2)27(25,26)18-13-11-16(12-14-18)15-22-19(24)20(3,21)17-9-7-6-8-10-17;/h6-14H,4-5,15,21H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120587270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).