N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H27ClN4O5S — CID 53085613

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1
InChIInChI=1S/C20H27ClN4O5S/c1-13(2)24-11-18(22-12-24)31(27,28)25-7-5-14(6-8-25)20(26)23-19-16(21)9-15(29-3)10-17(19)30-4/h9-14H,5-8H2,1-4H3,(H,23,26)
InChIKeyFEWQKBDOLOCXOF-UHFFFAOYSA-N
MW470.98 g/mol
LogP3.17
Rot. Bonds7

About N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085613) has the molecular formula C20H27ClN4O5S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085613
Molecular FormulaC20H27ClN4O5S
Molecular Weight470.98 g/mol
Exact Mass470.14
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1
InChIInChI=1S/C20H27ClN4O5S/c1-13(2)24-11-18(22-12-24)31(27,28)25-7-5-14(6-8-25)20(26)23-19-16(21)9-15(29-3)10-17(19)30-4/h9-14H,5-8H2,1-4H3,(H,23,26)
InChIKeyFEWQKBDOLOCXOF-UHFFFAOYSA-N
XLogP3.17
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073422
N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085539
N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085542
ethyl 4-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 53085575
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide
CID 46361849
N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085590
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392173
(3R)-N-(2,5-dimethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073513
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085613) is N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is COc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FEWQKBDOLOCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O5S/c1-13(2)24-11-18(22-12-24)31(27,28)25-7-5-14(6-8-25)20(26)23-19-16(21)9-15(29-3)10-17(19)30-4/h9-14H,5-8H2,1-4H3,(H,23,26).
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 470.98 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).