3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide

C24H26N2O3S — CID 11235547

IUPAC3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)C1CCC(=Cc2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C24H26N2O3S/c1-2-30(28,29)20-10-8-16(9-11-20)12-19-15-26-23-21(19)13-18(14-22(23)24(25)27)17-6-4-3-5-7-17/h3-7,12-15,20,26H,2,8-11H2,1H3,(H2,25,27)/b16-12-
InChIKeyLAGNAQKHRCNFEA-VBKFSLOCSA-N
MW422.55 g/mol
LogP4.69
Rot. Bonds5

About 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide

3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11235547) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID11235547
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)C1CCC(=Cc2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C24H26N2O3S/c1-2-30(28,29)20-10-8-16(9-11-20)12-19-15-26-23-21(19)13-18(14-22(23)24(25)27)17-6-4-3-5-7-17/h3-7,12-15,20,26H,2,8-11H2,1H3,(H2,25,27)/b16-12-
InChIKeyLAGNAQKHRCNFEA-VBKFSLOCSA-N
XLogP4.69
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
(7-carbamoyl-5-phenyl-1H-indol-3-yl)methyl-trimethylazanium iodide
CID 86624137
3-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 11258625
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144420
3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide
CID 143079387
3-(1-oxo-2-phenylthian-4-yl)-5-phenyl-1H-indole-7-carboxamide
CID 145483626
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144056
3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-phenyl-1H-indole-7-carboxamide;methane
CID 160775289
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
ethanethiol;5-[3-(hydroxymethyl)phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 143079375

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide (CID 11235547) is 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide is CCS(=O)(=O)C1CCC(=Cc2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is LAGNAQKHRCNFEA-VBKFSLOCSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-30(28,29)20-10-8-16(9-11-20)12-19-15-26-23-21(19)13-18(14-22(23)24(25)27)17-6-4-3-5-7-17/h3-7,12-15,20,26H,2,8-11H2,1H3,(H2,25,27)/b16-12-.
What are the key properties of 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide?
3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11235547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).