tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane

C72H96N10O15S3 — CID 157138370

IUPACtert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane
SMILESCCN(C)S(=O)(=O)NC(=O)OC(C)(C)C.CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(C)S(N)(=O)=O.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
InChIInChI=1S/C32H38N4O5S.C29H30N2O4.C8H18N2O4S.C3H10N2O2S/c1-3-34(2)42(39,40)33-31(37)24-13-14-27-28(20-24)36-21-25(32(38)35-15-17-41-18-16-35)19-23-11-7-8-12-26(23)30(36)29(27)22-9-5-4-6-10-22;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;1-6-10(5)15(12,13)9-7(11)14-8(2,3)4;1-3-5(2)8(4,6)7/h7-8,11-14,19-20,22H,3-6,9-10,15-18,21H2,1-2H3,(H,33,37);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);6H2,1-5H3,(H,9,11);3H2,1-2H3,(H2,4,6,7)
InChIKeyAJWXVPDUAXUHGF-UHFFFAOYSA-N
MW1437.82 g/mol
LogP9.70
Rot. Bonds14

About tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane

tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane (PubChem CID 157138370) has the molecular formula C72H96N10O15S3 and a molecular weight of 1437.82 g/mol. Its IUPAC name is tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane.

Molecular Properties

Compound Nametert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane
PubChem CID157138370
Molecular FormulaC72H96N10O15S3
Molecular Weight1437.82 g/mol
Exact Mass1436.62
IUPAC Nametert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane
SMILESCCN(C)S(=O)(=O)NC(=O)OC(C)(C)C.CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(C)S(N)(=O)=O.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
InChIInChI=1S/C32H38N4O5S.C29H30N2O4.C8H18N2O4S.C3H10N2O2S/c1-3-34(2)42(39,40)33-31(37)24-13-14-27-28(20-24)36-21-25(32(38)35-15-17-41-18-16-35)19-23-11-7-8-12-26(23)30(36)29(27)22-9-5-4-6-10-22;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;1-6-10(5)15(12,13)9-7(11)14-8(2,3)4;1-3-5(2)8(4,6)7/h7-8,11-14,19-20,22H,3-6,9-10,15-18,21H2,1-2H3,(H,33,37);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);6H2,1-5H3,(H,9,11);3H2,1-2H3,(H2,4,6,7)
InChIKeyAJWXVPDUAXUHGF-UHFFFAOYSA-N
XLogP9.70
TPSA311.83 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.82
LogP ≤ 59.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane with MolForge

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Related Compounds

13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 11525675
13-cyclohexyl-6-(morpholine-4-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 11496524
13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-fluoro-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 24769652
13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-fluoro-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 58676991
13-cyclohexyl-3-fluoro-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 58677079
13-cyclohexyl-6-[4-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 71206699
13-cyclohexyl-N-[[3-[6-(4,4-difluoropiperidine-1-carbonyl)-10-[(dimethylsulfamoylamino)-hydroxymethyl]-7H-indolo[2,1-a][2]benzazepin-13-yl]cyclohexyl]methyl-methylsulfamoyl]-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143427351
[4-[6-[4-(3-fluoropiperidin-1-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepin-13-yl]cyclohexyl]methyl 13-cyclohexyl-6-(3-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143427539
methyl 13-cyclohexyl-6-[(3R,5S)-3-[[4-[6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-10-(dimethylsulfamoylcarbamoyl)-3-fluoro-7H-indolo[2,1-a][2]benzazepin-13-yl]cyclohexyl]methyl]-5-methylpiperazine-1-carbonyl]-3-fluoro-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143523361
28-[4-[(28-Cyclohexyl-22-fluoro-10-methyl-7,9,9,17-tetraoxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaen-16-yl)methyl]cyclohexyl]-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,21,23,26(28)-heptaene-7,17-dione
CID 143923214
tert-butyl 13-cyclohexyl-3-methoxy-5-methyl-6-[methyl-[2-[2-[methyl(sulfamoyl)amino]ethoxy]ethyl]carbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;13-cyclohexyl-3-methoxy-5-methyl-6-[methyl-[2-[2-[methyl(sulfamoyl)amino]ethoxy]ethyl]carbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157365793
13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(morpholine-4-carbonyl)-N-(trifluoromethylsulfonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);trifluoromethanesulfonamide
CID 157798848

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane?
The IUPAC name of tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane (CID 157138370) is tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane.
What is the SMILES notation for tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane?
The canonical SMILES for tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane is CCN(C)S(=O)(=O)NC(=O)OC(C)(C)C.CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.CCN(C)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-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane?
The InChIKey is AJWXVPDUAXUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O5S.C29H30N2O4.C8H18N2O4S.C3H10N2O2S/c1-3-34(2)42(39,40)33-31(37)24-13-14-27-28(20-24)36-21-25(32(38)35-15-17-41-18-16-35)19-23-11-7-8-12-26(23)30(36)29(27)22-9-5-4-6-10-22;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;1-6-10(5)15(12,13)9-7(11)14-8(2,3)4;1-3-5(2)8(4,6)7/h7-8,11-14,19-20,22H,3-6,9-10,15-18,21H2,1-2H3,(H,33,37);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);6H2,1-5H3,(H,9,11);3H2,1-2H3,(H2,4,6,7).
What are the key properties of tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane?
tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane has a molecular weight of 1437.82 g/mol, XLogP of 9.70, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[ethyl(methyl)sulfamoyl]carbamate;13-cyclohexyl-N-[ethyl(methyl)sulfamoyl]-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;[methyl(sulfamoyl)amino]ethane is sourced from PubChem (CID 157138370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).