3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide

C26H20FN3O3S — CID 139465038

IUPAC3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
SMILESN#Cc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)NC4CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H20FN3O3S/c27-20-5-7-22(8-6-20)30-15-24(18-3-1-2-17(12-18)14-28)23-9-4-19(13-25(23)30)26(31)29-21-10-11-34(32,33)16-21/h1-9,12-13,15,21H,10-11,16H2,(H,29,31)
InChIKeySOUKPXSZZXZTDI-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.23
Rot. Bonds4

About 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide

3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide (PubChem CID 139465038) has the molecular formula C26H20FN3O3S and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
PubChem CID139465038
Molecular FormulaC26H20FN3O3S
Molecular Weight473.53 g/mol
Exact Mass473.12
IUPAC Name3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
SMILESN#Cc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)NC4CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H20FN3O3S/c27-20-5-7-22(8-6-20)30-15-24(18-3-1-2-17(12-18)14-28)23-9-4-19(13-25(23)30)26(31)29-21-10-11-34(32,33)16-21/h1-9,12-13,15,21H,10-11,16H2,(H,29,31)
InChIKeySOUKPXSZZXZTDI-UHFFFAOYSA-N
XLogP4.23
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
CID 134522011
3-(2-chloro-5-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522656
N-(1,1-dihydroxythiolan-3-yl)-1-(4-fluorophenyl)-3-(3-pyrazol-1-ylphenyl)indole-6-carboxamide
CID 139465048
3-(2,3-dichlorophenyl)-N-(1,1-dihydroxythiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
CID 139465046
2-(1,1-dioxothiolan-3-yl)-1-[1-(4-fluorophenyl)-3-(3-phenylphenyl)indol-6-yl]ethanone
CID 160848651
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 51925377
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-(1,1-dioxothiolan-3-yl)-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazoline-7-carboxamide
CID 45491278

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The IUPAC name of 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide (CID 139465038) is 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The canonical SMILES for 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide is N#Cc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)NC4CCS(=O)(=O)C4)ccc23)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The InChIKey is SOUKPXSZZXZTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3S/c27-20-5-7-22(8-6-20)30-15-24(18-3-1-2-17(12-18)14-28)23-9-4-19(13-25(23)30)26(31)29-21-10-11-34(32,33)16-21/h1-9,12-13,15,21H,10-11,16H2,(H,29,31).
What are the key properties of 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide is sourced from PubChem (CID 139465038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).