4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide

C21H27ClN4O4S2 — CID 46379832

IUPAC4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C21H27ClN4O4S2/c1-3-26(4-2)32(29,30)19-10-9-18(31-19)24-21(28)25-13-11-15(12-14-25)20(27)23-17-7-5-16(22)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBAKWJSPXEYMFAG-UHFFFAOYSA-N
MW499.06 g/mol
LogP4.31
Rot. Bonds7

About 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide

4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 46379832) has the molecular formula C21H27ClN4O4S2 and a molecular weight of 499.06 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
PubChem CID46379832
Molecular FormulaC21H27ClN4O4S2
Molecular Weight499.06 g/mol
Exact Mass498.12
IUPAC Name4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C21H27ClN4O4S2/c1-3-26(4-2)32(29,30)19-10-9-18(31-19)24-21(28)25-13-11-15(12-14-25)20(27)23-17-7-5-16(22)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBAKWJSPXEYMFAG-UHFFFAOYSA-N
XLogP4.31
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379836
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
CID 46379830
(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92895467
1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 46379838
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 46379847
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096708
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119366

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide (CID 46379832) is 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is BAKWJSPXEYMFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O4S2/c1-3-26(4-2)32(29,30)19-10-9-18(31-19)24-21(28)25-13-11-15(12-14-25)20(27)23-17-7-5-16(22)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 499.06 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46379832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).