N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide

C31H40Cl3N3O5S — CID 66702906

IUPACN-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
SMILESO=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1
InChIInChI=1S/C31H40Cl3N3O5S/c32-24-18-27(33)31(28(34)19-24)43(39,40)37-13-5-4-8-26(37)20-42-21-29(38)35-25-11-9-23(10-12-25)30(22-6-2-1-3-7-22)36-14-16-41-17-15-36/h1-3,6-7,18-19,23,25-26,30H,4-5,8-17,20-21H2,(H,35,38)
InChIKeyDCWHXRLEMJEHNW-UHFFFAOYSA-N
MW673.10 g/mol
LogP5.96
Rot. Bonds10

About N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide

N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide (PubChem CID 66702906) has the molecular formula C31H40Cl3N3O5S and a molecular weight of 673.10 g/mol. Its IUPAC name is N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
PubChem CID66702906
Molecular FormulaC31H40Cl3N3O5S
Molecular Weight673.10 g/mol
Exact Mass671.18
IUPAC NameN-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
SMILESO=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1
InChIInChI=1S/C31H40Cl3N3O5S/c32-24-18-27(33)31(28(34)19-24)43(39,40)37-13-5-4-8-26(37)20-42-21-29(38)35-25-11-9-23(10-12-25)30(22-6-2-1-3-7-22)36-14-16-41-17-15-36/h1-3,6-7,18-19,23,25-26,30H,4-5,8-17,20-21H2,(H,35,38)
InChIKeyDCWHXRLEMJEHNW-UHFFFAOYSA-N
XLogP5.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.10
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
The IUPAC name of N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide (CID 66702906) is N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
The canonical SMILES for N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide is O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1.
What is the InChIKey of N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
The InChIKey is DCWHXRLEMJEHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40Cl3N3O5S/c32-24-18-27(33)31(28(34)19-24)43(39,40)37-13-5-4-8-26(37)20-42-21-29(38)35-25-11-9-23(10-12-25)30(22-6-2-1-3-7-22)36-14-16-41-17-15-36/h1-3,6-7,18-19,23,25-26,30H,4-5,8-17,20-21H2,(H,35,38).
What are the key properties of N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide has a molecular weight of 673.10 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]-2-[[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetamide is sourced from PubChem (CID 66702906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).