N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate

C67H64F7N9O10S — CID 161097153

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
SMILESCCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C23H23F2N3O4.C22H20F3N3O3.C22H21F2N3O3S/c1-3-10-28-20-13-17(32-22(24)25)8-9-18(20)19(14-26)21(28)15-4-6-16(7-5-15)27-23(29)31-12-11-30-2;1-2-10-28-19-12-16(31-21(24)25)7-8-17(19)18(13-26)20(28)14-3-5-15(6-4-14)27-22(29)30-11-9-23;1-2-11-27-20-12-16(30-22(23)24)7-10-18(20)19(13-25)21(27)14-3-5-15(6-4-14)26-31(28,29)17-8-9-17/h4-9,13,22H,3,10-12H2,1-2H3,(H,27,29);3-8,12,21H,2,9-11H2,1H3,(H,27,29);3-7,10,12,17,22,26H,2,8-9,11H2,1H3
InChIKeyUHYDJROWIAGOLL-UHFFFAOYSA-N
MW1320.35 g/mol
LogP16.19
Rot. Bonds25

About N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate

N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate (PubChem CID 161097153) has the molecular formula C67H64F7N9O10S and a molecular weight of 1320.35 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
PubChem CID161097153
Molecular FormulaC67H64F7N9O10S
Molecular Weight1320.35 g/mol
Exact Mass1319.44
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
SMILESCCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C23H23F2N3O4.C22H20F3N3O3.C22H21F2N3O3S/c1-3-10-28-20-13-17(32-22(24)25)8-9-18(20)19(14-26)21(28)15-4-6-16(7-5-15)27-23(29)31-12-11-30-2;1-2-10-28-19-12-16(31-21(24)25)7-8-17(19)18(13-26)20(28)14-3-5-15(6-4-14)27-22(29)30-11-9-23;1-2-11-27-20-12-16(30-22(23)24)7-10-18(20)19(13-25)21(27)14-3-5-15(6-4-14)26-31(28,29)17-8-9-17/h4-9,13,22H,3,10-12H2,1-2H3,(H,27,29);3-8,12,21H,2,9-11H2,1H3,(H,27,29);3-7,10,12,17,22,26H,2,8-9,11H2,1H3
InChIKeyUHYDJROWIAGOLL-UHFFFAOYSA-N
XLogP16.19
TPSA245.91 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.35
LogP ≤ 516.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157420704
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 159593330
propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58039115
1-butan-2-yl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;1-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]-3-methylurea;N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;methane
CID 157457866
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 159344054
3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
CID 159304990
1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
CID 162035153

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate (CID 161097153) is N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate is CCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21.
What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
The InChIKey is UHYDJROWIAGOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4.C22H20F3N3O3.C22H21F2N3O3S/c1-3-10-28-20-13-17(32-22(24)25)8-9-18(20)19(14-26)21(28)15-4-6-16(7-5-15)27-23(29)31-12-11-30-2;1-2-10-28-19-12-16(31-21(24)25)7-8-17(19)18(13-26)20(28)14-3-5-15(6-4-14)27-22(29)30-11-9-23;1-2-11-27-20-12-16(30-22(23)24)7-10-18(20)19(13-25)21(27)14-3-5-15(6-4-14)26-31(28,29)17-8-9-17/h4-9,13,22H,3,10-12H2,1-2H3,(H,27,29);3-8,12,21H,2,9-11H2,1H3,(H,27,29);3-7,10,12,17,22,26H,2,8-9,11H2,1H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate has a molecular weight of 1320.35 g/mol, XLogP of 16.19, 25 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 161097153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).