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

C26H31N3O5S — CID 27796134

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O5S/c1-5-34-21-14-12-20(13-15-21)28-35(31,32)22-16-10-19(11-17-22)26(30)27-18-24(29(2)3)23-8-6-7-9-25(23)33-4/h6-17,24,28H,5,18H2,1-4H3,(H,27,30)/t24-/m0/s1
InChIKeyHRMMDWQQTMQDJT-DEOSSOPVSA-N
MW497.62 g/mol
LogP3.93
Rot. Bonds11

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

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 27796134) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID27796134
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O5S/c1-5-34-21-14-12-20(13-15-21)28-35(31,32)22-16-10-19(11-17-22)26(30)27-18-24(29(2)3)23-8-6-7-9-25(23)33-4/h6-17,24,28H,5,18H2,1-4H3,(H,27,30)/t24-/m0/s1
InChIKeyHRMMDWQQTMQDJT-DEOSSOPVSA-N
XLogP3.93
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391278
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25335595
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
CID 18589070
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 27796134) is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)cc2)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is HRMMDWQQTMQDJT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-5-34-21-14-12-20(13-15-21)28-35(31,32)22-16-10-19(11-17-22)26(30)27-18-24(29(2)3)23-8-6-7-9-25(23)33-4/h6-17,24,28H,5,18H2,1-4H3,(H,27,30)/t24-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 497.62 g/mol, XLogP of 3.93, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27796134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).