N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate

C149H148N24O15S2 — CID 158199553

IUPACN-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C2CCC2)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cccnc4)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C2CCC2)cc1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3cccn3)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21.COc1ccc2c(c1)c(C#N)c(-c1ccc(NS(=O)(=O)C3CC3)cc1)n2C1CCC1
InChIInChI=1S/C27H27N5O2.2C26H25N5O2.C24H23N3O3.C23H23N3O3S.C23H25N3O3S/c1-3-13-30-27(33)31-21-9-7-20(8-10-21)26-24(16-28)23-12-11-22(15-25(23)32(26)4-2)34-18-19-6-5-14-29-17-19;1-2-31-24-16-21(33-15-14-30-13-3-12-28-30)10-11-22(24)23(17-27)25(31)18-6-8-20(9-7-18)29-26(32)19-4-5-19;1-2-31-24-15-21(33-14-13-30-12-11-28-17-30)9-10-22(24)23(16-27)25(31)18-5-7-20(8-6-18)29-26(32)19-3-4-19;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-14-19(29-2)11-12-22(20)27(23)18-5-4-6-18;1-29-18-9-12-22-20(13-18)21(14-24)23(26(22)17-3-2-4-17)15-5-7-16(8-6-15)25-30(27,28)19-10-11-19;1-3-13-30(27,28)25-17-9-7-16(8-10-17)23-21(15-24)20-14-19(29-2)11-12-22(20)26(23)18-5-4-6-18/h5-12,14-15,17H,3-4,13,18H2,1-2H3,(H2,30,31,33);3,6-13,16,19H,2,4-5,14-15H2,1H3,(H,29,32);5-12,15,17,19H,2-4,13-14H2,1H3,(H,29,32);3,7-12,14,18H,1,4-6,13H2,2H3,(H,26,28);5-9,12-13,17,19,25H,2-4,10-11H2,1H3;7-12,14,18,25H,3-6,13H2,1-2H3
InChIKeyGATLOULMOYBBES-UHFFFAOYSA-N
MW2579.11 g/mol
LogP30.88
Rot. Bonds43

About N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate

N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 158199553) has the molecular formula C149H148N24O15S2 and a molecular weight of 2579.11 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
PubChem CID158199553
Molecular FormulaC149H148N24O15S2
Molecular Weight2579.11 g/mol
Exact Mass2577.10
IUPAC NameN-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C2CCC2)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cccnc4)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C2CCC2)cc1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3cccn3)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21.COc1ccc2c(c1)c(C#N)c(-c1ccc(NS(=O)(=O)C3CC3)cc1)n2C1CCC1
InChIInChI=1S/C27H27N5O2.2C26H25N5O2.C24H23N3O3.C23H23N3O3S.C23H25N3O3S/c1-3-13-30-27(33)31-21-9-7-20(8-10-21)26-24(16-28)23-12-11-22(15-25(23)32(26)4-2)34-18-19-6-5-14-29-17-19;1-2-31-24-16-21(33-15-14-30-13-3-12-28-30)10-11-22(24)23(17-27)25(31)18-6-8-20(9-7-18)29-26(32)19-4-5-19;1-2-31-24-15-21(33-14-13-30-12-11-28-17-30)9-10-22(24)23(16-27)25(31)18-5-7-20(8-6-18)29-26(32)19-3-4-19;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-14-19(29-2)11-12-22(20)27(23)18-5-4-6-18;1-29-18-9-12-22-20(13-18)21(14-24)23(26(22)17-3-2-4-17)15-5-7-16(8-6-15)25-30(27,28)19-10-11-19;1-3-13-30(27,28)25-17-9-7-16(8-10-17)23-21(15-24)20-14-19(29-2)11-12-22(20)26(23)18-5-4-6-18/h5-12,14-15,17H,3-4,13,18H2,1-2H3,(H2,30,31,33);3,6-13,16,19H,2,4-5,14-15H2,1H3,(H,29,32);5-12,15,17,19H,2-4,13-14H2,1H3,(H,29,32);3,7-12,14,18H,1,4-6,13H2,2H3,(H,26,28);5-9,12-13,17,19,25H,2-4,10-11H2,1H3;7-12,14,18,25H,3-6,13H2,1-2H3
InChIKeyGATLOULMOYBBES-UHFFFAOYSA-N
XLogP30.88
TPSA506.23 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.11
LogP ≤ 530.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate (CID 158199553) is N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate is C=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C2CCC2)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cccnc4)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C2CCC2)cc1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3cccn3)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21.COc1ccc2c(c1)c(C#N)c(-c1ccc(NS(=O)(=O)C3CC3)cc1)n2C1CCC1.
What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is GATLOULMOYBBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2.2C26H25N5O2.C24H23N3O3.C23H23N3O3S.C23H25N3O3S/c1-3-13-30-27(33)31-21-9-7-20(8-10-21)26-24(16-28)23-12-11-22(15-25(23)32(26)4-2)34-18-19-6-5-14-29-17-19;1-2-31-24-16-21(33-15-14-30-13-3-12-28-30)10-11-22(24)23(17-27)25(31)18-6-8-20(9-7-18)29-26(32)19-4-5-19;1-2-31-24-15-21(33-14-13-30-12-11-28-17-30)9-10-22(24)23(16-27)25(31)18-5-7-20(8-6-18)29-26(32)19-3-4-19;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-14-19(29-2)11-12-22(20)27(23)18-5-4-6-18;1-29-18-9-12-22-20(13-18)21(14-24)23(26(22)17-3-2-4-17)15-5-7-16(8-6-15)25-30(27,28)19-10-11-19;1-3-13-30(27,28)25-17-9-7-16(8-10-17)23-21(15-24)20-14-19(29-2)11-12-22(20)26(23)18-5-4-6-18/h5-12,14-15,17H,3-4,13,18H2,1-2H3,(H2,30,31,33);3,6-13,16,19H,2,4-5,14-15H2,1H3,(H,29,32);5-12,15,17,19H,2-4,13-14H2,1H3,(H,29,32);3,7-12,14,18H,1,4-6,13H2,2H3,(H,26,28);5-9,12-13,17,19,25H,2-4,10-11H2,1H3;7-12,14,18,25H,3-6,13H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2579.11 g/mol, XLogP of 30.88, 43 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;1-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]-3-propylurea;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158199553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).