propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate

C22H28FN3O6S — CID 11225410

IUPACpropan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate
SMILESCc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCC(NC(=O)OC(C)C)CC1
InChIInChI=1S/C22H28FN3O6S/c1-13(2)30-22(27)26-15-5-7-16(8-6-15)31-20-14(3)21(25-12-24-20)32-19-10-9-17(11-18(19)23)33(4,28)29/h9-13,15-16H,5-8H2,1-4H3,(H,26,27)
InChIKeyYNHHPLRNNJHSKN-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.94
Rot. Bonds7

About propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate

propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate (PubChem CID 11225410) has the molecular formula C22H28FN3O6S and a molecular weight of 481.55 g/mol. Its IUPAC name is propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate
PubChem CID11225410
Molecular FormulaC22H28FN3O6S
Molecular Weight481.55 g/mol
Exact Mass481.17
IUPAC Namepropan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate
SMILESCc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCC(NC(=O)OC(C)C)CC1
InChIInChI=1S/C22H28FN3O6S/c1-13(2)30-22(27)26-15-5-7-16(8-6-15)31-20-14(3)21(25-12-24-20)32-19-10-9-17(11-18(19)23)33(4,28)29/h9-13,15-16H,5-8H2,1-4H3,(H,26,27)
InChIKeyYNHHPLRNNJHSKN-UHFFFAOYSA-N
XLogP3.94
TPSA116.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate with MolForge

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Related Compounds

4-[6-(2-Fluoro-4-methanesulfonyl-phenoxy)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester
CID 11503692
Isopropyl 4-(6-(2-fluoro-4-(methylsulfonyl)phenoxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 54584625
Propan-2-yl 6-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71545699
4-[5-ethyl-6-(2-fluoro-4-methanesulfonyl-phenoxy)-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester
CID 11213815
N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]-3-methylbutanamide
CID 11306129
N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]-2-methylpropanamide
CID 11363287
Propan-2-yl 4-[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11386126
3-Amino-1-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-4-methylpentan-1-one
CID 11443316
2-Amino-1-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-1-one
CID 11454457
Propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluorophenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701172
Propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701235
4-(4-Cyclopropylsulfonyl-2-fluorophenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine
CID 46701236

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate (CID 11225410) is propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate is Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCC(NC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate?
The InChIKey is YNHHPLRNNJHSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O6S/c1-13(2)30-22(27)26-15-5-7-16(8-6-15)31-20-14(3)21(25-12-24-20)32-19-10-9-17(11-18(19)23)33(4,28)29/h9-13,15-16H,5-8H2,1-4H3,(H,26,27).
What are the key properties of propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate?
propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate has a molecular weight of 481.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxycyclohexyl]carbamate is sourced from PubChem (CID 11225410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).