N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide

C23H26N4O3S — CID 58694526

IUPACN-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C23H26N4O3S/c1-3-27-22-10-9-19(26-11-13-30-14-12-26)15-20(22)21(16-24)23(27)17-5-7-18(8-6-17)25-31(28,29)4-2/h5-10,15,25H,3-4,11-14H2,1-2H3
InChIKeyQYFSGWAEXYKOGN-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.80
Rot. Bonds6

About N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide

N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide (PubChem CID 58694526) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
PubChem CID58694526
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C23H26N4O3S/c1-3-27-22-10-9-19(26-11-13-30-14-12-26)15-20(22)21(16-24)23(27)17-5-7-18(8-6-17)25-31(28,29)4-2/h5-10,15,25H,3-4,11-14H2,1-2H3
InChIKeyQYFSGWAEXYKOGN-UHFFFAOYSA-N
XLogP3.80
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 158190284
3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 71681406
propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate
CID 143184388
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-(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-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 59426164
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
CID 59425807
1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]-6-morpholin-4-ylindole-3-carbonitrile
CID 59424995
4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide
CID 58693995
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]methyl]-2-morpholin-4-ylethanesulfonamide
CID 66866350

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide (CID 58694526) is N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(N3CCOCC3)ccc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is QYFSGWAEXYKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-27-22-10-9-19(26-11-13-30-14-12-26)15-20(22)21(16-24)23(27)17-5-7-18(8-6-17)25-31(28,29)4-2/h5-10,15,25H,3-4,11-14H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide?
N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 58694526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).