N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

C25H29N3O4S — CID 25391278

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)N(C)C
InChIInChI=1S/C25H29N3O4S/c1-18-9-13-20(14-10-18)27-33(30,31)21-15-11-19(12-16-21)25(29)26-17-23(28(2)3)22-7-5-6-8-24(22)32-4/h5-16,23,27H,17H2,1-4H3,(H,26,29)/t23-/m0/s1
InChIKeyHNZFUCSQFNYYKY-QHCPKHFHSA-N
MW467.59 g/mol
LogP3.84
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 25391278) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID25391278
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)N(C)C
InChIInChI=1S/C25H29N3O4S/c1-18-9-13-20(14-10-18)27-33(30,31)21-15-11-19(12-16-21)25(29)26-17-23(28(2)3)22-7-5-6-8-24(22)32-4/h5-16,23,27H,17H2,1-4H3,(H,26,29)/t23-/m0/s1
InChIKeyHNZFUCSQFNYYKY-QHCPKHFHSA-N
XLogP3.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 25391278) is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is HNZFUCSQFNYYKY-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-18-9-13-20(14-10-18)27-33(30,31)21-15-11-19(12-16-21)25(29)26-17-23(28(2)3)22-7-5-6-8-24(22)32-4/h5-16,23,27H,17H2,1-4H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 467.59 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25391278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).