13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C31H36N4O5S — CID 11657104

IUPAC13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
InChIInChI=1S/C31H36N4O5S/c1-33(2)41(38,39)32-30(36)23-12-13-26-27(19-23)35-20-24(31(37)34-14-16-40-17-15-34)18-22-10-6-7-11-25(22)29(35)28(26)21-8-4-3-5-9-21/h6-7,10-13,18-19,21H,3-5,8-9,14-17,20H2,1-2H3,(H,32,36)
InChIKeyPFPMTYWOIRUZOM-UHFFFAOYSA-N
MW576.72 g/mol
LogP4.15
Rot. Bonds5

About 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 11657104) has the molecular formula C31H36N4O5S and a molecular weight of 576.72 g/mol. Its IUPAC name is 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

Compound Name13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
PubChem CID11657104
Molecular FormulaC31H36N4O5S
Molecular Weight576.72 g/mol
Exact Mass576.24
IUPAC Name13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
InChIInChI=1S/C31H36N4O5S/c1-33(2)41(38,39)32-30(36)23-12-13-26-27(19-23)35-20-24(31(37)34-14-16-40-17-15-34)18-22-10-6-7-11-25(22)29(35)28(26)21-8-4-3-5-9-21/h6-7,10-13,18-19,21H,3-5,8-9,14-17,20H2,1-2H3,(H,32,36)
InChIKeyPFPMTYWOIRUZOM-UHFFFAOYSA-N
XLogP4.15
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The IUPAC name of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 11657104) is 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.
What is the SMILES notation for 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The canonical SMILES for 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.
What is the InChIKey of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The InChIKey is PFPMTYWOIRUZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5S/c1-33(2)41(38,39)32-30(36)23-12-13-26-27(19-23)35-20-24(31(37)34-14-16-40-17-15-34)18-22-10-6-7-11-25(22)29(35)28(26)21-8-4-3-5-9-21/h6-7,10-13,18-19,21H,3-5,8-9,14-17,20H2,1-2H3,(H,32,36).
What are the key properties of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 576.72 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 11657104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).