propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C140H171N13O22S — CID 158033599

IUPACpropan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(S(=O)(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OCC)ccc12.CCOc1ccc2c(C)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C30H37N3O6S.C30H37N3O5.C28H34N2O4.C27H33N3O4.C25H30N2O3/c1-19(2)38-30(34)31-21-8-6-20(7-9-21)28-29(40(35,36)32-22-10-11-22)26-13-12-25(39-24-14-16-37-17-15-24)18-27(26)33(28)23-4-3-5-23;1-4-36-31-19-27-26-13-12-25(38-24-14-16-35-17-15-24)18-28(26)33(23-6-5-7-23)29(27)21-8-10-22(11-9-21)32-30(34)37-20(2)3;1-18(2)33-28(31)29-21-9-7-20(8-10-21)27-19(3)25-12-11-24(34-23-13-15-32-16-14-23)17-26(25)30(27)22-5-4-6-22;1-5-32-22-14-15-23-24(17-28-33-6-2)26(30(25(23)16-22)21-8-7-9-21)19-10-12-20(13-11-19)29-27(31)34-18(3)4;1-5-29-21-13-14-22-17(4)24(27(23(22)15-21)20-7-6-8-20)18-9-11-19(12-10-18)26-25(28)30-16(2)3/h6-9,12-13,18-19,22-24,32H,3-5,10-11,14-17H2,1-2H3,(H,31,34);8-13,18-20,23-24H,4-7,14-17H2,1-3H3,(H,32,34);7-12,17-18,22-23H,4-6,13-16H2,1-3H3,(H,29,31);10-18,21H,5-9H2,1-4H3,(H,29,31);9-16,20H,5-8H2,1-4H3,(H,26,28)
InChIKeyFHMAQQAVTWPOEL-UHFFFAOYSA-N
MW2420.04 g/mol
LogP33.22
Rot. Bonds39

About propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158033599) has the molecular formula C140H171N13O22S and a molecular weight of 2420.04 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID158033599
Molecular FormulaC140H171N13O22S
Molecular Weight2420.04 g/mol
Exact Mass2418.24
IUPAC Namepropan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(S(=O)(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OCC)ccc12.CCOc1ccc2c(C)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C30H37N3O6S.C30H37N3O5.C28H34N2O4.C27H33N3O4.C25H30N2O3/c1-19(2)38-30(34)31-21-8-6-20(7-9-21)28-29(40(35,36)32-22-10-11-22)26-13-12-25(39-24-14-16-37-17-15-24)18-27(26)33(28)23-4-3-5-23;1-4-36-31-19-27-26-13-12-25(38-24-14-16-35-17-15-24)18-28(26)33(23-6-5-7-23)29(27)21-8-10-22(11-9-21)32-30(34)37-20(2)3;1-18(2)33-28(31)29-21-9-7-20(8-10-21)27-19(3)25-12-11-24(34-23-13-15-32-16-14-23)17-26(25)30(27)22-5-4-6-22;1-5-32-22-14-15-23-24(17-28-33-6-2)26(30(25(23)16-22)21-8-7-9-21)19-10-12-20(13-11-19)29-27(31)34-18(3)4;1-5-29-21-13-14-22-17(4)24(27(23(22)15-21)20-7-6-8-20)18-9-11-19(12-10-18)26-25(28)30-16(2)3/h6-9,12-13,18-19,22-24,32H,3-5,10-11,14-17H2,1-2H3,(H,31,34);8-13,18-20,23-24H,4-7,14-17H2,1-3H3,(H,32,34);7-12,17-18,22-23H,4-6,13-16H2,1-3H3,(H,29,31);10-18,21H,5-9H2,1-4H3,(H,29,31);9-16,20H,5-8H2,1-4H3,(H,26,28)
InChIKeyFHMAQQAVTWPOEL-UHFFFAOYSA-N
XLogP33.22
TPSA379.49 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002420.04
LogP ≤ 533.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 158033599) is propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(S(=O)(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OCC)ccc12.CCOc1ccc2c(C)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is FHMAQQAVTWPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O6S.C30H37N3O5.C28H34N2O4.C27H33N3O4.C25H30N2O3/c1-19(2)38-30(34)31-21-8-6-20(7-9-21)28-29(40(35,36)32-22-10-11-22)26-13-12-25(39-24-14-16-37-17-15-24)18-27(26)33(28)23-4-3-5-23;1-4-36-31-19-27-26-13-12-25(38-24-14-16-35-17-15-24)18-28(26)33(23-6-5-7-23)29(27)21-8-10-22(11-9-21)32-30(34)37-20(2)3;1-18(2)33-28(31)29-21-9-7-20(8-10-21)27-19(3)25-12-11-24(34-23-13-15-32-16-14-23)17-26(25)30(27)22-5-4-6-22;1-5-32-22-14-15-23-24(17-28-33-6-2)26(30(25(23)16-22)21-8-7-9-21)19-10-12-20(13-11-19)29-27(31)34-18(3)4;1-5-29-21-13-14-22-17(4)24(27(23(22)15-21)20-7-6-8-20)18-9-11-19(12-10-18)26-25(28)30-16(2)3/h6-9,12-13,18-19,22-24,32H,3-5,10-11,14-17H2,1-2H3,(H,31,34);8-13,18-20,23-24H,4-7,14-17H2,1-3H3,(H,32,34);7-12,17-18,22-23H,4-6,13-16H2,1-3H3,(H,29,31);10-18,21H,5-9H2,1-4H3,(H,29,31);9-16,20H,5-8H2,1-4H3,(H,26,28).
What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2420.04 g/mol, XLogP of 33.22, 39 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[1-cyclobutyl-3-(cyclopropylsulfamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-methylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-methyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158033599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).