18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide

C33H41N5O6S — CID 71022274

IUPAC18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CC(C)OC(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)nc21
InChIInChI=1S/C33H41N5O6S/c1-20-17-37(18-21(2)44-20)33(40)24-15-23-16-25(43-5)11-12-26(23)30-29(22-9-7-6-8-10-22)27-13-14-28(34-31(27)38(30)19-24)32(39)35-45(41,42)36(3)4/h11-16,20-22H,6-10,17-19H2,1-5H3,(H,35,39)
InChIKeyGHNXACLXUKEJIY-UHFFFAOYSA-N
MW635.79 g/mol
LogP4.33
Rot. Bonds6

About 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide

18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide (PubChem CID 71022274) has the molecular formula C33H41N5O6S and a molecular weight of 635.79 g/mol. Its IUPAC name is 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide.

Molecular Properties

Compound Name18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
PubChem CID71022274
Molecular FormulaC33H41N5O6S
Molecular Weight635.79 g/mol
Exact Mass635.28
IUPAC Name18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CC(C)OC(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)nc21
InChIInChI=1S/C33H41N5O6S/c1-20-17-37(18-21(2)44-20)33(40)24-15-23-16-25(43-5)11-12-26(23)30-29(22-9-7-6-8-10-22)27-13-14-28(34-31(27)38(30)19-24)32(39)35-45(41,42)36(3)4/h11-16,20-22H,6-10,17-19H2,1-5H3,(H,35,39)
InChIKeyGHNXACLXUKEJIY-UHFFFAOYSA-N
XLogP4.33
TPSA123.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide with MolForge

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Related Compounds

18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
CID 71022215
18-cyclohexyl-9-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(methylsulfamoyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
CID 25007303
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71170698
13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
CID 59682115
13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;methyl 13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylate
CID 160646009
N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-N-[(2S)-1-(dimethylamino)-3-hydroxy-2-methyl-1-oxopropan-2-yl]-10-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methoxy-N-pyrrolidin-1-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-N-pyrrolidin-1-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
CID 159710635
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12,14-diazapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25006926
methyl 3-chloro-13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58677114
13-cyclohexyl-10-N-(dimethylsulfamoyl)-6-N-(2-hydroxyethyl)-3-methoxy-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
CID 58677000
13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
CID 66782782
13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-6-fluoro-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
CID 24769654
13-cyclohexyl-6-[4-(2,6-dimethylmorpholine-4-carbonyl)-1-propan-2-ylpyrazol-5-yl]-3-methoxy-N-(2-methylpropylsulfonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 72525738

Frequently Asked Questions

What is the IUPAC name of 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
The IUPAC name of 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide (CID 71022274) is 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide.
What is the SMILES notation for 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
The canonical SMILES for 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide is COc1ccc2c(c1)C=C(C(=O)N1CC(C)OC(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)nc21.
What is the InChIKey of 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
The InChIKey is GHNXACLXUKEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O6S/c1-20-17-37(18-21(2)44-20)33(40)24-15-23-16-25(43-5)11-12-26(23)30-29(22-9-7-6-8-10-22)27-13-14-28(34-31(27)38(30)19-24)32(39)35-45(41,42)36(3)4/h11-16,20-22H,6-10,17-19H2,1-5H3,(H,35,39).
What are the key properties of 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide has a molecular weight of 635.79 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide is sourced from PubChem (CID 71022274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).