N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide

C26H31N3O3S — CID 27032355

IUPACN-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)c1C
InChIInChI=1S/C26H31N3O3S/c1-19-9-8-12-25(20(19)2)28-33(31,32)24-15-13-22(14-16-24)26(30)27-18-23(29(3)4)17-21-10-6-5-7-11-21/h5-16,23,28H,17-18H2,1-4H3,(H,27,30)/t23-/m1/s1
InChIKeyIOYDGVLEFXQLQF-HSZRJFAPSA-N
MW465.62 g/mol
LogP4.01
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide

N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 27032355) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
PubChem CID27032355
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)c1C
InChIInChI=1S/C26H31N3O3S/c1-19-9-8-12-25(20(19)2)28-33(31,32)24-15-13-22(14-16-24)26(30)27-18-23(29(3)4)17-21-10-6-5-7-11-21/h5-16,23,28H,17-18H2,1-4H3,(H,27,30)/t23-/m1/s1
InChIKeyIOYDGVLEFXQLQF-HSZRJFAPSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide (CID 27032355) is N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)c1C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is IOYDGVLEFXQLQF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-19-9-8-12-25(20(19)2)28-33(31,32)24-15-13-22(14-16-24)26(30)27-18-23(29(3)4)17-21-10-6-5-7-11-21/h5-16,23,28H,17-18H2,1-4H3,(H,27,30)/t23-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 465.62 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).