1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide

C27H35N3O5S — CID 162713327

IUPAC1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCO[C@H](C)C4)n3)CC2)c1
InChIInChI=1S/C27H35N3O5S/c1-19-11-12-22(21-7-4-3-5-8-21)23(17-19)35-27(13-14-27)26(31)29-36(32,33)25-10-6-9-24(28-25)30-15-16-34-20(2)18-30/h6,9-12,17,20-21H,3-5,7-8,13-16,18H2,1-2H3,(H,29,31)/t20-/m1/s1
InChIKeyYNJWYELWYGQFTH-HXUWFJFHSA-N
MW513.66 g/mol
LogP4.08
Rot. Bonds7

About 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide

1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide (PubChem CID 162713327) has the molecular formula C27H35N3O5S and a molecular weight of 513.66 g/mol. Its IUPAC name is 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
PubChem CID162713327
Molecular FormulaC27H35N3O5S
Molecular Weight513.66 g/mol
Exact Mass513.23
IUPAC Name1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCO[C@H](C)C4)n3)CC2)c1
InChIInChI=1S/C27H35N3O5S/c1-19-11-12-22(21-7-4-3-5-8-21)23(17-19)35-27(13-14-27)26(31)29-36(32,33)25-10-6-9-24(28-25)30-15-16-34-20(2)18-30/h6,9-12,17,20-21H,3-5,7-8,13-16,18H2,1-2H3,(H,29,31)/t20-/m1/s1
InChIKeyYNJWYELWYGQFTH-HXUWFJFHSA-N
XLogP4.08
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide (CID 162713327) is 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide is Cc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCO[C@H](C)C4)n3)CC2)c1.
What is the InChIKey of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is YNJWYELWYGQFTH-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H35N3O5S/c1-19-11-12-22(21-7-4-3-5-8-21)23(17-19)35-27(13-14-27)26(31)29-36(32,33)25-10-6-9-24(28-25)30-15-16-34-20(2)18-30/h6,9-12,17,20-21H,3-5,7-8,13-16,18H2,1-2H3,(H,29,31)/t20-/m1/s1.
What are the key properties of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 513.66 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162713327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).