3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide

C20H20N4O3S — CID 71681406

IUPAC3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(N)=O)cc21
InChIInChI=1S/C20H20N4O3S/c1-3-24-18-11-14(20(22)25)7-10-16(18)17(12-21)19(24)13-5-8-15(9-6-13)23-28(26,27)4-2/h5-11,23H,3-4H2,1-2H3,(H2,22,25)
InChIKeyQJTKUOGUPMANHF-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.06
Rot. Bonds6

About 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide

3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide (PubChem CID 71681406) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide.

Molecular Properties

Compound Name3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
PubChem CID71681406
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(N)=O)cc21
InChIInChI=1S/C20H20N4O3S/c1-3-24-18-11-14(20(22)25)7-10-16(18)17(12-21)19(24)13-5-8-15(9-6-13)23-28(26,27)4-2/h5-11,23H,3-4H2,1-2H3,(H2,22,25)
InChIKeyQJTKUOGUPMANHF-UHFFFAOYSA-N
XLogP3.06
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 59426164
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
CID 58694045
N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
CID 58694526
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
CID 59425807
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
CID 59425200
1-ethyl-6-methyl-2-(4-methylsulfonylphenyl)indole-3-carbonitrile
CID 58039094
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 59424983
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The IUPAC name of 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide (CID 71681406) is 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide.
What is the SMILES notation for 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The canonical SMILES for 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(N)=O)cc21.
What is the InChIKey of 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The InChIKey is QJTKUOGUPMANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-24-18-11-14(20(22)25)7-10-16(18)17(12-21)19(24)13-5-8-15(9-6-13)23-28(26,27)4-2/h5-11,23H,3-4H2,1-2H3,(H2,22,25).
What are the key properties of 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide is sourced from PubChem (CID 71681406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).