[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

C22H32N3O3S+ — CID 8791173

IUPAC[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[NH+](C)Cc2ccccc2C)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-25(6-2)29(27,28)21-13-11-19(12-14-21)15-23-22(26)17-24(4)16-20-10-8-7-9-18(20)3/h7-14H,5-6,15-17H2,1-4H3,(H,23,26)/p+1
InChIKeyWAFNCIZKMXBIOX-UHFFFAOYSA-O
MW418.58 g/mol
LogP1.36
Rot. Bonds10

About [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8791173) has the molecular formula C22H32N3O3S+ and a molecular weight of 418.58 g/mol. Its IUPAC name is [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8791173
Molecular FormulaC22H32N3O3S+
Molecular Weight418.58 g/mol
Exact Mass418.22
IUPAC Name[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[NH+](C)Cc2ccccc2C)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-25(6-2)29(27,28)21-13-11-19(12-14-21)15-23-22(26)17-24(4)16-20-10-8-7-9-18(20)3/h7-14H,5-6,15-17H2,1-4H3,(H,23,26)/p+1
InChIKeyWAFNCIZKMXBIOX-UHFFFAOYSA-O
XLogP1.36
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120587270
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 8791173) is [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[NH+](C)Cc2ccccc2C)cc1.
What is the InChIKey of [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is WAFNCIZKMXBIOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O3S/c1-5-25(6-2)29(27,28)21-13-11-19(12-14-21)15-23-22(26)17-24(4)16-20-10-8-7-9-18(20)3/h7-14H,5-6,15-17H2,1-4H3,(H,23,26)/p+1.
What are the key properties of [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 418.58 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8791173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).