1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C23H30N4O5S — CID 25494837

IUPAC1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H30N4O5S/c1-26(2)33(30,31)21-15-19(9-10-20(21)32-3)24-22(28)16-27-13-11-17(12-14-27)23(29)25-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPYDCEAALQUKARM-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.23
Rot. Bonds8

About 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 25494837) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID25494837
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H30N4O5S/c1-26(2)33(30,31)21-15-19(9-10-20(21)32-3)24-22(28)16-27-13-11-17(12-14-27)23(29)25-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPYDCEAALQUKARM-UHFFFAOYSA-N
XLogP2.23
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 25494837) is 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is COc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is PYDCEAALQUKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-26(2)33(30,31)21-15-19(9-10-20(21)32-3)24-22(28)16-27-13-11-17(12-14-27)23(29)25-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 25494837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).