3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide

C24H33N3O4S — CID 27740220

IUPAC3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C24H33N3O4S/c1-27(2)21(15-18-9-5-4-6-10-18)17-25-24(28)19-13-14-22(31-3)23(16-19)32(29,30)26-20-11-7-8-12-20/h4-6,9-10,13-14,16,20-21,26H,7-8,11-12,15,17H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyLJXQVJMMWLLIPI-NRFANRHFSA-N
MW459.61 g/mol
LogP2.82
Rot. Bonds10

About 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide

3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide (PubChem CID 27740220) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
PubChem CID27740220
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C24H33N3O4S/c1-27(2)21(15-18-9-5-4-6-10-18)17-25-24(28)19-13-14-22(31-3)23(16-19)32(29,30)26-20-11-7-8-12-20/h4-6,9-10,13-14,16,20-21,26H,7-8,11-12,15,17H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyLJXQVJMMWLLIPI-NRFANRHFSA-N
XLogP2.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 17468943
3-(cyclopropylsulfamoyl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525933
3-(cyclopropylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525938
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55450378
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide (CID 27740220) is 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide?
The InChIKey is LJXQVJMMWLLIPI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-27(2)21(15-18-9-5-4-6-10-18)17-25-24(28)19-13-14-22(31-3)23(16-19)32(29,30)26-20-11-7-8-12-20/h4-6,9-10,13-14,16,20-21,26H,7-8,11-12,15,17H2,1-3H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide?
3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide has a molecular weight of 459.61 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide is sourced from PubChem (CID 27740220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).