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

C32H39N5O6S — CID 25007303

IUPAC18-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
SMILESCNS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CC(C(=O)N1C[C@@H](C)O[C@@H](C)C1)=Cc1cc(OC)ccc1-3
InChIInChI=1S/C32H39N5O6S/c1-19-16-36(17-20(2)43-19)32(39)23-14-22-15-24(42-4)10-11-25(22)29-28(21-8-6-5-7-9-21)26-12-13-27(34-30(26)37(29)18-23)31(38)35-44(40,41)33-3/h10-15,19-21,33H,5-9,16-18H2,1-4H3,(H,35,38)/t19-,20+
InChIKeyCFAAUPMLAZRDNR-BGYRXZFFSA-N
MW621.76 g/mol
LogP3.99
Rot. Bonds6

About 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

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 (PubChem CID 25007303) has the molecular formula C32H39N5O6S and a molecular weight of 621.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-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
PubChem CID25007303
Molecular FormulaC32H39N5O6S
Molecular Weight621.76 g/mol
Exact Mass621.26
IUPAC Name18-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
SMILESCNS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CC(C(=O)N1C[C@@H](C)O[C@@H](C)C1)=Cc1cc(OC)ccc1-3
InChIInChI=1S/C32H39N5O6S/c1-19-16-36(17-20(2)43-19)32(39)23-14-22-15-24(42-4)10-11-25(22)29-28(21-8-6-5-7-9-21)26-12-13-27(34-30(26)37(29)18-23)31(38)35-44(40,41)33-3/h10-15,19-21,33H,5-9,16-18H2,1-4H3,(H,35,38)/t19-,20+
InChIKeyCFAAUPMLAZRDNR-BGYRXZFFSA-N
XLogP3.99
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.76
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
methyl 3-chloro-13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58677114
1-[13-cyclohexyl-6-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone
CID 126714539
13-cyclohexyl-6-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-3-methoxy-N-(methylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71086097
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
tert-butyl 13-cyclohexyl-6-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropanoyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 59133884
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71170698
13-cyclohexyl-6-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-3-propan-2-ylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46893696
13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde
CID 143186581
13-cyclohexyl-6-[3-(dimethylamino)-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enoyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 72525731
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CC(C(=O)N1C[C@@H](C)O[C@@H](C)C1)=Cc1cc(OC)ccc1-3.
What is the InChIKey of 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?
The InChIKey is CFAAUPMLAZRDNR-BGYRXZFFSA-N. The full InChI is InChI=1S/C32H39N5O6S/c1-19-16-36(17-20(2)43-19)32(39)23-14-22-15-24(42-4)10-11-25(22)29-28(21-8-6-5-7-9-21)26-12-13-27(34-30(26)37(29)18-23)31(38)35-44(40,41)33-3/h10-15,19-21,33H,5-9,16-18H2,1-4H3,(H,35,38)/t19-,20+.
What are the key properties of 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?
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 has a molecular weight of 621.76 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25007303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).