N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide

C22H27ClN4O4S — CID 55818676

IUPACN-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cc1
InChIInChI=1S/C22H27ClN4O4S/c1-3-27(4-2)32(30,31)19-10-7-16(8-11-19)22(29)26-13-5-6-17(15-26)21(28)25-20-12-9-18(23)14-24-20/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,25,28)
InChIKeyMEVPDUWCLYBNOW-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.26
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide (PubChem CID 55818676) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
PubChem CID55818676
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cc1
InChIInChI=1S/C22H27ClN4O4S/c1-3-27(4-2)32(30,31)19-10-7-16(8-11-19)22(29)26-13-5-6-17(15-26)21(28)25-20-12-9-18(23)14-24-20/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,25,28)
InChIKeyMEVPDUWCLYBNOW-UHFFFAOYSA-N
XLogP3.26
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
ethyl 4-[(3S)-3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 51961591
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
CID 55527967
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55818612
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide (CID 55818676) is N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is MEVPDUWCLYBNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c1-3-27(4-2)32(30,31)19-10-7-16(8-11-19)22(29)26-13-5-6-17(15-26)21(28)25-20-12-9-18(23)14-24-20/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 479.00 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55818676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).