N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C26H31N3O3S — CID 41378820

IUPACN-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-20-10-16-25(17-11-20)33(31,32)29(4)23-14-12-22(13-15-23)26(30)27-19-24(28(2)3)18-21-8-6-5-7-9-21/h5-17,24H,18-19H2,1-4H3,(H,27,30)/t24-/m1/s1
InChIKeyLMIHASQVYXTZIB-XMMPIXPASA-N
MW465.62 g/mol
LogP3.72
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 41378820) 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-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID41378820
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-20-10-16-25(17-11-20)33(31,32)29(4)23-14-12-22(13-15-23)26(30)27-19-24(28(2)3)18-21-8-6-5-7-9-21/h5-17,24H,18-19H2,1-4H3,(H,27,30)/t24-/m1/s1
InChIKeyLMIHASQVYXTZIB-XMMPIXPASA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 41378820) is N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LMIHASQVYXTZIB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-20-10-16-25(17-11-20)33(31,32)29(4)23-14-12-22(13-15-23)26(30)27-19-24(28(2)3)18-21-8-6-5-7-9-21/h5-17,24H,18-19H2,1-4H3,(H,27,30)/t24-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 465.62 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 41378820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).