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

C158H192ClN25O21S3 — CID 157457866

About 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

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 (PubChem CID 157457866) has the molecular formula C158H192ClN25O21S3 and a molecular weight of 2909.08 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157457866
• Molecular Formula: C158H192ClN25O21S3
• Molecular Weight: 2909.08 g/mol
• Exact Mass: 2906.36
• IUPAC Name: 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
• SMILES: C.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCCn1c(-c2ccc(NC(=O)NC(C)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)NC)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21
• InChI: InChI=1S/C27H31ClN4O4.C27H32N4O4S.C27H34N4O4S.C26H31N5O3.C26H32N4O4S.C24H28N4O2.CH4/c1-2-32-25-18-22(35-14-3-11-31-12-16-34-17-13-31)8-9-23(25)24(19-29)26(32)20-4-6-21(7-5-20)30-27(33)36-15-10-28;1-2-31-26-18-22(35-15-3-12-30-13-16-34-17-14-30)8-11-24(26)25(19-28)27(31)20-4-6-21(7-5-20)29-36(32,33)23-9-10-23;1-3-18-36(32,33)29-22-8-6-21(7-9-22)27-25(20-28)24-11-10-23(19-26(24)31(27)4-2)35-15-5-12-30-13-16-34-17-14-30;1-3-31-24-17-21(34-14-4-11-30-12-15-33-16-13-30)9-10-22(24)23(18-27)25(31)19-5-7-20(8-6-19)29-26(32)28-2;1-3-30-25-18-22(34-15-5-12-29-13-16-33-17-14-29)10-11-23(25)24(19-27)26(30)20-6-8-21(9-7-20)28-35(31,32)4-2;1-5-13-28-22-14-19(30-4)11-12-20(22)21(15-25)23(28)17-7-9-18(10-8-17)27-24(29)26-16(3)6-2;/h4-9,18H,2-3,10-17H2,1H3,(H,30,33);4-8,11,18,23,29H,2-3,9-10,12-17H2,1H3;6-11,19,29H,3-5,12-18H2,1-2H3;5-10,17H,3-4,11-16H2,1-2H3,(H2,28,29,32);6-11,18,28H,3-5,12-17H2,1-2H3;7-12,14,16H,5-6,13H2,1-4H3,(H2,26,27,29);1H4
• InChIKey: BTOOKRNIWLIBPW-UHFFFAOYSA-N
• XLogP: 28.02
• TPSA: 549.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 56
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2909.08
LogP ≤ 5	28.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCCn1c(-c2ccc(NC(=O)NC(C)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)NC)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.

What is the InChIKey of 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?

The InChIKey is BTOOKRNIWLIBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O4.C27H32N4O4S.C27H34N4O4S.C26H31N5O3.C26H32N4O4S.C24H28N4O2.CH4/c1-2-32-25-18-22(35-14-3-11-31-12-16-34-17-13-31)8-9-23(25)24(19-29)26(32)20-4-6-21(7-5-20)30-27(33)36-15-10-28;1-2-31-26-18-22(35-15-3-12-30-13-16-34-17-14-30)8-11-24(26)25(19-28)27(31)20-4-6-21(7-5-20)29-36(32,33)23-9-10-23;1-3-18-36(32,33)29-22-8-6-21(7-9-22)27-25(20-28)24-11-10-23(19-26(24)31(27)4-2)35-15-5-12-30-13-16-34-17-14-30;1-3-31-24-17-21(34-14-4-11-30-12-15-33-16-13-30)9-10-22(24)23(18-27)25(31)19-5-7-20(8-6-19)29-26(32)28-2;1-3-30-25-18-22(34-15-5-12-29-13-16-33-17-14-29)10-11-23(25)24(19-27)26(30)20-6-8-21(9-7-20)28-35(31,32)4-2;1-5-13-28-22-14-19(30-4)11-12-20(22)21(15-25)23(28)17-7-9-18(10-8-17)27-24(29)26-16(3)6-2;/h4-9,18H,2-3,10-17H2,1H3,(H,30,33);4-8,11,18,23,29H,2-3,9-10,12-17H2,1H3;6-11,19,29H,3-5,12-18H2,1-2H3;5-10,17H,3-4,11-16H2,1-2H3,(H2,28,29,32);6-11,18,28H,3-5,12-17H2,1-2H3;7-12,14,16H,5-6,13H2,1-4H3,(H2,26,27,29);1H4.

What are the key properties of 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?

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 has a molecular weight of 2909.08 g/mol, XLogP of 28.02, 56 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157457866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).