4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide

C20H24N4O4S — CID 55363749

IUPAC4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C20H24N4O4S/c1-14-7-8-17(13-18(14)29(21,27)28)22-19(25)15-9-11-24(12-10-15)20(26)23-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyXOGVXCHBYYZCIJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.53
Rot. Bonds4

About 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 55363749) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID55363749
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C20H24N4O4S/c1-14-7-8-17(13-18(14)29(21,27)28)22-19(25)15-9-11-24(12-10-15)20(26)23-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyXOGVXCHBYYZCIJ-UHFFFAOYSA-N
XLogP2.53
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39898875
4-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 75369112
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide (CID 55363749) is 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1S(N)(=O)=O.
What is the InChIKey of 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is XOGVXCHBYYZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-14-7-8-17(13-18(14)29(21,27)28)22-19(25)15-9-11-24(12-10-15)20(26)23-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,25)(H,23,26)(H2,21,27,28).
What are the key properties of 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55363749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).