1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide

C19H22Cl2N2O3S2 — CID 46466616

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)s1
InChIInChI=1S/C19H22Cl2N2O3S2/c1-2-14-6-7-15(27-14)12-22-19(24)13-8-10-23(11-9-13)28(25,26)18-16(20)4-3-5-17(18)21/h3-7,13H,2,8-12H2,1H3,(H,22,24)
InChIKeyUKENBIIBRQHFHR-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.33
Rot. Bonds6

About 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46466616) has the molecular formula C19H22Cl2N2O3S2 and a molecular weight of 461.44 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46466616
Molecular FormulaC19H22Cl2N2O3S2
Molecular Weight461.44 g/mol
Exact Mass460.04
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)s1
InChIInChI=1S/C19H22Cl2N2O3S2/c1-2-14-6-7-15(27-14)12-22-19(24)13-8-10-23(11-9-13)28(25,26)18-16(20)4-3-5-17(18)21/h3-7,13H,2,8-12H2,1H3,(H,22,24)
InChIKeyUKENBIIBRQHFHR-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-(4-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 55794642
methyl 4-[[[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate
CID 46561005
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 55711297
1-(2,6-dichlorophenyl)sulfonyl-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 27024550
N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26909871
1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006158
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55721126
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46466417
N-[2-[(5-ethylthiophen-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115618862

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 46466616) is 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)s1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UKENBIIBRQHFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S2/c1-2-14-6-7-15(27-14)12-22-19(24)13-8-10-23(11-9-13)28(25,26)18-16(20)4-3-5-17(18)21/h3-7,13H,2,8-12H2,1H3,(H,22,24).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46466616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).