2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine

C107H126N24O28S5 — CID 158887189

IUPAC2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCCCC2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCOCC2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCOCC2)nc1OCCOc1ncc(SC)cn1.COc1cnc(OCCOc2nc(N3CCOCC3)nc(NS(=O)(=O)NCc3ccccc3)c2Oc2ccccc2OC)nc1
InChIInChI=1S/C29H33N7O8S.C29H33N7O7S2.C25H31N5O6S.C24H29N5O7S/c1-39-22-19-30-29(31-20-22)43-17-16-42-27-25(44-24-11-7-6-10-23(24)40-2)26(33-28(34-27)36-12-14-41-15-13-36)35-45(37,38)32-18-21-8-4-3-5-9-21;1-39-23-10-6-7-11-24(23)43-25-26(35-45(37,38)32-18-21-8-4-3-5-9-21)33-28(36-12-14-40-15-13-36)34-27(25)41-16-17-42-29-30-19-22(44-2)20-31-29;1-34-20-12-6-7-13-21(20)36-22-23(29-37(32,33)26-18-19-10-4-2-5-11-19)27-25(28-24(22)35-17-16-31)30-14-8-3-9-15-30;1-33-19-9-5-6-10-20(19)36-21-22(28-37(31,32)25-17-18-7-3-2-4-8-18)26-24(27-23(21)35-16-13-30)29-11-14-34-15-12-29/h2*3-11,19-20,32H,12-18H2,1-2H3,(H,33,34,35);2,4-7,10-13,26,31H,3,8-9,14-18H2,1H3,(H,27,28,29);2-10,25,30H,11-17H2,1H3,(H,26,27,28)
InChIKeyJDTWWFADZNZVHJ-UHFFFAOYSA-N
MW2356.66 g/mol
LogP11.36
Rot. Bonds54

About 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine

2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 158887189) has the molecular formula C107H126N24O28S5 and a molecular weight of 2356.66 g/mol. Its IUPAC name is 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID158887189
Molecular FormulaC107H126N24O28S5
Molecular Weight2356.66 g/mol
Exact Mass2354.78
IUPAC Name2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCCCC2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCOCC2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCOCC2)nc1OCCOc1ncc(SC)cn1.COc1cnc(OCCOc2nc(N3CCOCC3)nc(NS(=O)(=O)NCc3ccccc3)c2Oc2ccccc2OC)nc1
InChIInChI=1S/C29H33N7O8S.C29H33N7O7S2.C25H31N5O6S.C24H29N5O7S/c1-39-22-19-30-29(31-20-22)43-17-16-42-27-25(44-24-11-7-6-10-23(24)40-2)26(33-28(34-27)36-12-14-41-15-13-36)35-45(37,38)32-18-21-8-4-3-5-9-21;1-39-23-10-6-7-11-24(23)43-25-26(35-45(37,38)32-18-21-8-4-3-5-9-21)33-28(36-12-14-40-15-13-36)34-27(25)41-16-17-42-29-30-19-22(44-2)20-31-29;1-34-20-12-6-7-13-21(20)36-22-23(29-37(32,33)26-18-19-10-4-2-5-11-19)27-25(28-24(22)35-17-16-31)30-14-8-3-9-15-30;1-33-19-9-5-6-10-20(19)36-21-22(28-37(31,32)25-17-18-7-3-2-4-8-18)26-24(27-23(21)35-16-13-30)29-11-14-34-15-12-29/h2*3-11,19-20,32H,12-18H2,1-2H3,(H,33,34,35);2,4-7,10-13,26,31H,3,8-9,14-18H2,1H3,(H,27,28,29);2-10,25,30H,11-17H2,1H3,(H,26,27,28)
InChIKeyJDTWWFADZNZVHJ-UHFFFAOYSA-N
XLogP11.36
TPSA607.04 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds54
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.66
LogP ≤ 511.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-amine
CID 21041372
N-[5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
CID 71458719
2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine
CID 161257505
N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine
CID 21041366
N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine
CID 21041367
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-amine
CID 21041371
N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine
CID 58688010
N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 58688013
N-(benzylsulfamoyl)-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 58688015
5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 58688016
N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine
CID 58688020
CID 87605195
CID 87605195

Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine (CID 158887189) is 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine is COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCCCC2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCOCC2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(N2CCOCC2)nc1OCCOc1ncc(SC)cn1.COc1cnc(OCCOc2nc(N3CCOCC3)nc(NS(=O)(=O)NCc3ccccc3)c2Oc2ccccc2OC)nc1.
What is the InChIKey of 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JDTWWFADZNZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O8S.C29H33N7O7S2.C25H31N5O6S.C24H29N5O7S/c1-39-22-19-30-29(31-20-22)43-17-16-42-27-25(44-24-11-7-6-10-23(24)40-2)26(33-28(34-27)36-12-14-41-15-13-36)35-45(37,38)32-18-21-8-4-3-5-9-21;1-39-23-10-6-7-11-24(23)43-25-26(35-45(37,38)32-18-21-8-4-3-5-9-21)33-28(36-12-14-40-15-13-36)34-27(25)41-16-17-42-29-30-19-22(44-2)20-31-29;1-34-20-12-6-7-13-21(20)36-22-23(29-37(32,33)26-18-19-10-4-2-5-11-19)27-25(28-24(22)35-17-16-31)30-14-8-3-9-15-30;1-33-19-9-5-6-10-20(19)36-21-22(28-37(31,32)25-17-18-7-3-2-4-8-18)26-24(27-23(21)35-16-13-30)29-11-14-34-15-12-29/h2*3-11,19-20,32H,12-18H2,1-2H3,(H,33,34,35);2,4-7,10-13,26,31H,3,8-9,14-18H2,1H3,(H,27,28,29);2-10,25,30H,11-17H2,1H3,(H,26,27,28).
What are the key properties of 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine?
2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 2356.66 g/mol, XLogP of 11.36, 54 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]oxyethanol;2-[6-(benzylsulfamoylamino)-5-(2-methoxyphenoxy)-2-piperidin-1-ylpyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 158887189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).