N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide

C25H32N2O5S — CID 72992124

IUPACN-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1Oc1cccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)c1
InChIInChI=1S/C25H32N2O5S/c1-18-6-2-3-10-24(18)32-22-8-4-9-23(16-22)33(30,31)27-15-5-7-19(17-27)25(29)26-20-11-13-21(28)14-12-20/h2-4,6,8-10,16,19-21,28H,5,7,11-15,17H2,1H3,(H,26,29)
InChIKeyDVSZASYYYAFNBR-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.61
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide

N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 72992124) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID72992124
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC NameN-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1Oc1cccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)c1
InChIInChI=1S/C25H32N2O5S/c1-18-6-2-3-10-24(18)32-22-8-4-9-23(16-22)33(30,31)27-15-5-7-19(17-27)25(29)26-20-11-13-21(28)14-12-20/h2-4,6,8-10,16,19-21,28H,5,7,11-15,17H2,1H3,(H,26,29)
InChIKeyDVSZASYYYAFNBR-UHFFFAOYSA-N
XLogP3.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 69259861
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 73023864
N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 76823868
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69259003
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
(3S)-1-(2-cyclohexa-1,3-dien-1-yloxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 143174103

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide (CID 72992124) is N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide is Cc1ccccc1Oc1cccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is DVSZASYYYAFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-18-6-2-3-10-24(18)32-22-8-4-9-23(16-22)33(30,31)27-15-5-7-19(17-27)25(29)26-20-11-13-21(28)14-12-20/h2-4,6,8-10,16,19-21,28H,5,7,11-15,17H2,1H3,(H,26,29).
What are the key properties of N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 72992124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).