19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C36H46N4O9S2 — CID 23657960

IUPAC19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOC[C@@H]1CN(S(=O)(=O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n2C3)CCO1
InChIInChI=1S/C36H46N4O9S2/c1-46-22-27-21-39(14-17-49-27)50(42,43)36-20-31(36)30-19-26(47-2)9-11-28(30)34-33(24-6-4-3-5-7-24)29-10-8-25(18-32(29)40(34)23-36)35(41)37-51(44,45)38-12-15-48-16-13-38/h8-11,18-19,24,27,31H,3-7,12-17,20-23H2,1-2H3,(H,37,41)/t27-,31?,36?/m0/s1
InChIKeyVYOORKVPCDTSGQ-XJIQFRSOSA-N
MW742.92 g/mol
LogP3.59
Rot. Bonds9

About 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 23657960) has the molecular formula C36H46N4O9S2 and a molecular weight of 742.92 g/mol. Its IUPAC name is 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID23657960
Molecular FormulaC36H46N4O9S2
Molecular Weight742.92 g/mol
Exact Mass742.27
IUPAC Name19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOC[C@@H]1CN(S(=O)(=O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n2C3)CCO1
InChIInChI=1S/C36H46N4O9S2/c1-46-22-27-21-39(14-17-49-27)50(42,43)36-20-31(36)30-19-26(47-2)9-11-28(30)34-33(24-6-4-3-5-7-24)29-10-8-25(18-32(29)40(34)23-36)35(41)37-51(44,45)38-12-15-48-16-13-38/h8-11,18-19,24,27,31H,3-7,12-17,20-23H2,1-2H3,(H,37,41)/t27-,31?,36?/m0/s1
InChIKeyVYOORKVPCDTSGQ-XJIQFRSOSA-N
XLogP3.59
TPSA145.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500742.92
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

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Related Compounds

10-[[(3aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-19-cyclohexyl-5-methoxy-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71147969
19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-1-carbonyl)-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71146857
19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71064580
13-cyclohexyl-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-3-methoxy-5,6-dimethyl-N-morpholin-4-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
CID 71052301
[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]methyl morpholine-4-carboxylate
CID 25015171
19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-piperidin-1-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25151194
N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 42641492
10-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-19-cyclohexyl-5-methoxy-N-methylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-19-cyclohexyl-5-methoxy-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 158411125
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71052300
19-cyclohexyl-10-[(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-5-methoxy-N-propan-2-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 23658230
19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-5-methoxy-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 70887295
19-cyclohexyl-5-methoxy-10-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25019519

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 23657960) is 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COC[C@@H]1CN(S(=O)(=O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n2C3)CCO1.
What is the InChIKey of 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is VYOORKVPCDTSGQ-XJIQFRSOSA-N. The full InChI is InChI=1S/C36H46N4O9S2/c1-46-22-27-21-39(14-17-49-27)50(42,43)36-20-31(36)30-19-26(47-2)9-11-28(30)34-33(24-6-4-3-5-7-24)29-10-8-25(18-32(29)40(34)23-36)35(41)37-51(44,45)38-12-15-48-16-13-38/h8-11,18-19,24,27,31H,3-7,12-17,20-23H2,1-2H3,(H,37,41)/t27-,31?,36?/m0/s1.
What are the key properties of 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 742.92 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-5-methoxy-10-[(2S)-2-(methoxymethyl)morpholin-4-yl]sulfonyl-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 23657960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).