N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C26H31N3O4S — CID 25331393

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCOc1cccc([C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)N(C)C)c1
InChIInChI=1S/C26H31N3O4S/c1-18-9-10-19(2)25(15-18)34(31,32)28-22-13-11-20(12-14-22)26(30)27-17-24(29(3)4)21-7-6-8-23(16-21)33-5/h6-16,24,28H,17H2,1-5H3,(H,27,30)/t24-/m1/s1
InChIKeyYUMZCYFOFRBJNY-XMMPIXPASA-N
MW481.62 g/mol
LogP4.15
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 25331393) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID25331393
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCOc1cccc([C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)N(C)C)c1
InChIInChI=1S/C26H31N3O4S/c1-18-9-10-19(2)25(15-18)34(31,32)28-22-13-11-20(12-14-22)26(30)27-17-24(29(3)4)21-7-6-8-23(16-21)33-5/h6-16,24,28H,17H2,1-5H3,(H,27,30)/t24-/m1/s1
InChIKeyYUMZCYFOFRBJNY-XMMPIXPASA-N
XLogP4.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25391058
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24544277
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 25335428
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55527106
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 25331393) is N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is COc1cccc([C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is YUMZCYFOFRBJNY-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-18-9-10-19(2)25(15-18)34(31,32)28-22-13-11-20(12-14-22)26(30)27-17-24(29(3)4)21-7-6-8-23(16-21)33-5/h6-16,24,28H,17H2,1-5H3,(H,27,30)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 481.62 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 25331393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).