tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane

C108H142N14O20S4 — CID 158907309

IUPACtert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane
SMILESCCN(CC)S(=O)(=O)NC(=O)OC(C)(C)C.CCN(CC)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(CC)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(CC)S(N)(=O)=O.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
InChIInChI=1S/2C33H40N4O5S.C29H30N2O4.C9H20N2O4S.C4H12N2O2S/c2*1-3-36(4-2)43(40,41)34-32(38)25-14-15-28-29(21-25)37-22-26(33(39)35-16-18-42-19-17-35)20-24-12-8-9-13-27(24)31(37)30(28)23-10-6-5-7-11-23;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;1-6-11(7-2)16(13,14)10-8(12)15-9(3,4)5;1-3-6(4-2)9(5,7)8/h2*8-9,12-15,20-21,23H,3-7,10-11,16-19,22H2,1-2H3,(H,34,38);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);6-7H2,1-5H3,(H,10,12);3-4H2,1-2H3,(H2,5,7,8)
InChIKeyJGEZXCGILUXQEH-UHFFFAOYSA-N
MW2084.67 g/mol
LogP15.80
Rot. Bonds24

About tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane

tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane (PubChem CID 158907309) has the molecular formula C108H142N14O20S4 and a molecular weight of 2084.67 g/mol. Its IUPAC name is tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane.

Molecular Properties

Compound Nametert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane
PubChem CID158907309
Molecular FormulaC108H142N14O20S4
Molecular Weight2084.67 g/mol
Exact Mass2082.94
IUPAC Nametert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane
SMILESCCN(CC)S(=O)(=O)NC(=O)OC(C)(C)C.CCN(CC)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(CC)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(CC)S(N)(=O)=O.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
InChIInChI=1S/2C33H40N4O5S.C29H30N2O4.C9H20N2O4S.C4H12N2O2S/c2*1-3-36(4-2)43(40,41)34-32(38)25-14-15-28-29(21-25)37-22-26(33(39)35-16-18-42-19-17-35)20-24-12-8-9-13-27(24)31(37)30(28)23-10-6-5-7-11-23;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;1-6-11(7-2)16(13,14)10-8(12)15-9(3,4)5;1-3-6(4-2)9(5,7)8/h2*8-9,12-15,20-21,23H,3-7,10-11,16-19,22H2,1-2H3,(H,34,38);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);6-7H2,1-5H3,(H,10,12);3-4H2,1-2H3,(H2,5,7,8)
InChIKeyJGEZXCGILUXQEH-UHFFFAOYSA-N
XLogP15.80
TPSA412.78 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.67
LogP ≤ 515.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane with MolForge

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Related Compounds

6-(4-acetylpiperazine-1-carbonyl)-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;ethane
CID 143427373
13-cyclohexyl-6-[4-[5-[[[13-cyclohexyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamoyl-methylamino]methyl]pyrimidin-2-yl]piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 143427399
6-(4-cyclohexa-1,5-dien-1-ylpiperazine-1-carbonyl)-13-cyclohexyl-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143427496
13-cyclohexyl-6-[(2S)-2-methylmorpholine-4-carbonyl]-N-(2-morpholin-4-ylethyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71206738
13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane
CID 157449294
methyl 13-cyclohexyl-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58765165
13-cyclohexyl-6-[[[2-(oxan-4-yl)acetyl]amino]carbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 58940680
6-(4-acetylpiperazine-1-carbonyl)-13-cyclohexyl-N-dimethylsulfinamoyloxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 89371650
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71170698
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16667163
13-cyclohexyl-10-N-(dimethylsulfamoyl)-6-N-(2-hydroxyethyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
CID 58765269
methyl 13-cyclohexyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143427262

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane?
The IUPAC name of tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane (CID 158907309) is tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane.
What is the SMILES notation for tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane?
The canonical SMILES for tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane is CCN(CC)S(=O)(=O)NC(=O)OC(C)(C)C.CCN(CC)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(CC)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(CC)S(N)(=O)=O.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.
What is the InChIKey of tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane?
The InChIKey is JGEZXCGILUXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H40N4O5S.C29H30N2O4.C9H20N2O4S.C4H12N2O2S/c2*1-3-36(4-2)43(40,41)34-32(38)25-14-15-28-29(21-25)37-22-26(33(39)35-16-18-42-19-17-35)20-24-12-8-9-13-27(24)31(37)30(28)23-10-6-5-7-11-23;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;1-6-11(7-2)16(13,14)10-8(12)15-9(3,4)5;1-3-6(4-2)9(5,7)8/h2*8-9,12-15,20-21,23H,3-7,10-11,16-19,22H2,1-2H3,(H,34,38);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);6-7H2,1-5H3,(H,10,12);3-4H2,1-2H3,(H2,5,7,8).
What are the key properties of tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane?
tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane has a molecular weight of 2084.67 g/mol, XLogP of 15.80, 24 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane is sourced from PubChem (CID 158907309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).