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

C24H26N4O3S — CID 59426164

IUPAC3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21
InChIInChI=1S/C24H26N4O3S/c1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2/h7-13,16,27H,3-6,15H2,1-2H3,(H,26,29)
InChIKeyUCTIWINSOVPYON-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.10
Rot. Bonds8

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

3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide (PubChem CID 59426164) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
PubChem CID59426164
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21
InChIInChI=1S/C24H26N4O3S/c1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2/h7-13,16,27H,3-6,15H2,1-2H3,(H,26,29)
InChIKeyUCTIWINSOVPYON-UHFFFAOYSA-N
XLogP4.10
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 71681406
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
CID 59425807
N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
CID 59425200
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
CID 58694526
N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 59424983
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
CID 58694045
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide
CID 158630369
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The IUPAC name of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide (CID 59426164) is 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide.
What is the SMILES notation for 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The canonical SMILES for 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21.
What is the InChIKey of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The InChIKey is UCTIWINSOVPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2/h7-13,16,27H,3-6,15H2,1-2H3,(H,26,29).
What are the key properties of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide is sourced from PubChem (CID 59426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).