N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

C18H18Cl2N2O4S2 — CID 112839243

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NS(=O)(=O)c3cc(Cl)sc3Cl)C2)cc1
InChIInChI=1S/C18H18Cl2N2O4S2/c1-11-4-6-12(7-5-11)18(24)22-8-2-3-13(10-22)17(23)21-28(25,26)14-9-15(19)27-16(14)20/h4-7,9,13H,2-3,8,10H2,1H3,(H,21,23)
InChIKeyYKPUFPWNSFRMCD-UHFFFAOYSA-N
MW461.39 g/mol
LogP3.72
Rot. Bonds4

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 112839243) has the molecular formula C18H18Cl2N2O4S2 and a molecular weight of 461.39 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID112839243
Molecular FormulaC18H18Cl2N2O4S2
Molecular Weight461.39 g/mol
Exact Mass460.01
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NS(=O)(=O)c3cc(Cl)sc3Cl)C2)cc1
InChIInChI=1S/C18H18Cl2N2O4S2/c1-11-4-6-12(7-5-11)18(24)22-8-2-3-13(10-22)17(23)21-28(25,26)14-9-15(19)27-16(14)20/h4-7,9,13H,2-3,8,10H2,1H3,(H,21,23)
InChIKeyYKPUFPWNSFRMCD-UHFFFAOYSA-N
XLogP3.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 112839230
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 119524399
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 112839243) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NS(=O)(=O)c3cc(Cl)sc3Cl)C2)cc1.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is YKPUFPWNSFRMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S2/c1-11-4-6-12(7-5-11)18(24)22-8-2-3-13(10-22)17(23)21-28(25,26)14-9-15(19)27-16(14)20/h4-7,9,13H,2-3,8,10H2,1H3,(H,21,23).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 461.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 112839243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).