N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide

C27H27N5O4S — CID 58694533

IUPACN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C27H27N5O4S/c1-3-32-25-16-21(35-2)8-10-23(25)24(17-28)27(32)19-4-6-20(7-5-19)30-37(33,34)22-9-11-26(29-18-22)31-12-14-36-15-13-31/h4-11,16,18,30H,3,12-15H2,1-2H3
InChIKeyPFODTGNDJPGKTQ-UHFFFAOYSA-N
MW517.61 g/mol
LogP4.24
Rot. Bonds7

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 58694533) has the molecular formula C27H27N5O4S and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID58694533
Molecular FormulaC27H27N5O4S
Molecular Weight517.61 g/mol
Exact Mass517.18
IUPAC NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C27H27N5O4S/c1-3-32-25-16-21(35-2)8-10-23(25)24(17-28)27(32)19-4-6-20(7-5-19)30-37(33,34)22-9-11-26(29-18-22)31-12-14-36-15-13-31/h4-11,16,18,30H,3,12-15H2,1-2H3
InChIKeyPFODTGNDJPGKTQ-UHFFFAOYSA-N
XLogP4.24
TPSA109.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide with MolForge

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Related Compounds

N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 59426014
N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide
CID 66866350
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile
CID 160524637
N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
CID 58694526
1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
CID 58694338
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide
CID 58694365

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide (CID 58694533) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide is CCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is PFODTGNDJPGKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4S/c1-3-32-25-16-21(35-2)8-10-23(25)24(17-28)27(32)19-4-6-20(7-5-19)30-37(33,34)22-9-11-26(29-18-22)31-12-14-36-15-13-31/h4-11,16,18,30H,3,12-15H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 517.61 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 58694533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).