2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium

C22H32N3O3S+ — CID 8919272

IUPAC2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C
InChIInChI=1S/C22H31N3O3S/c1-17(2)25(18(3)4)16-15-23-22(26)19-11-13-21(14-12-19)29(27,28)24(5)20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3,(H,23,26)/p+1
InChIKeyQKIDFAQNHCIMEX-UHFFFAOYSA-O
MW418.58 g/mol
LogP1.94
Rot. Bonds9

About 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium

2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium (PubChem CID 8919272) has the molecular formula C22H32N3O3S+ and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
PubChem CID8919272
Molecular FormulaC22H32N3O3S+
Molecular Weight418.58 g/mol
Exact Mass418.22
IUPAC Name2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C
InChIInChI=1S/C22H31N3O3S/c1-17(2)25(18(3)4)16-15-23-22(26)19-11-13-21(14-12-19)29(27,28)24(5)20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3,(H,23,26)/p+1
InChIKeyQKIDFAQNHCIMEX-UHFFFAOYSA-O
XLogP1.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78774991
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586
N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 8855715

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium?
The IUPAC name of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium (CID 8919272) is 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium?
The canonical SMILES for 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium is CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C.
What is the InChIKey of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium?
The InChIKey is QKIDFAQNHCIMEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O3S/c1-17(2)25(18(3)4)16-15-23-22(26)19-11-13-21(14-12-19)29(27,28)24(5)20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3,(H,23,26)/p+1.
What are the key properties of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium?
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium has a molecular weight of 418.58 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 8919272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).