N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C24H27N3O3S — CID 25391329

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2)cc1
InChIInChI=1S/C24H27N3O3S/c1-18-12-14-21(15-13-18)26-31(29,30)22-11-7-10-20(16-22)24(28)25-17-23(27(2)3)19-8-5-4-6-9-19/h4-16,23,26H,17H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyBFDGREPCUILVGF-QHCPKHFHSA-N
MW437.57 g/mol
LogP3.83
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 25391329) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID25391329
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2)cc1
InChIInChI=1S/C24H27N3O3S/c1-18-12-14-21(15-13-18)26-31(29,30)22-11-7-10-20(16-22)24(28)25-17-23(27(2)3)19-8-5-4-6-9-19/h4-16,23,26H,17H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyBFDGREPCUILVGF-QHCPKHFHSA-N
XLogP3.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55588965
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391278
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 25391329) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BFDGREPCUILVGF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-18-12-14-21(15-13-18)26-31(29,30)22-11-7-10-20(16-22)24(28)25-17-23(27(2)3)19-8-5-4-6-9-19/h4-16,23,26H,17H2,1-3H3,(H,25,28)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25391329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).