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

C25H30N4O4S — CID 66866350

IUPACN-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide
SMILESCCn1c(-c2ccc(CNS(=O)(=O)CCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H30N4O4S/c1-3-29-24-16-21(32-2)8-9-22(24)23(17-26)25(29)20-6-4-19(5-7-20)18-27-34(30,31)15-12-28-10-13-33-14-11-28/h4-9,16,27H,3,10-15,18H2,1-2H3
InChIKeyUYSPPWJFZIPXJZ-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.96
Rot. Bonds9

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

N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide (PubChem CID 66866350) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide
PubChem CID66866350
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide
SMILESCCn1c(-c2ccc(CNS(=O)(=O)CCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H30N4O4S/c1-3-29-24-16-21(32-2)8-9-22(24)23(17-26)25(29)20-6-4-19(5-7-20)18-27-34(30,31)15-12-28-10-13-33-14-11-28/h4-9,16,27H,3,10-15,18H2,1-2H3
InChIKeyUYSPPWJFZIPXJZ-UHFFFAOYSA-N
XLogP2.96
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
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]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 58694533
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
CID 143184488
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 58694097
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 58694432
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide?
The IUPAC name of N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide (CID 66866350) is N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide.
What is the SMILES notation for N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide?
The canonical SMILES for N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide is CCn1c(-c2ccc(CNS(=O)(=O)CCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide?
The InChIKey is UYSPPWJFZIPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-3-29-24-16-21(32-2)8-9-22(24)23(17-26)25(29)20-6-4-19(5-7-20)18-27-34(30,31)15-12-28-10-13-33-14-11-28/h4-9,16,27H,3,10-15,18H2,1-2H3.
What are the key properties of N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide?
N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide has a molecular weight of 482.61 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide is sourced from PubChem (CID 66866350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).