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

C26H23FN2O4S — CID 134534339

IUPACN-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)NC4CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H23FN2O4S/c1-33-22-4-2-3-17(13-22)24-15-29(21-8-6-19(27)7-9-21)25-14-18(5-10-23(24)25)26(30)28-20-11-12-34(31,32)16-20/h2-10,13-15,20H,11-12,16H2,1H3,(H,28,30)
InChIKeyNWEWLPWUOOKODE-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.36
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide (PubChem CID 134534339) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide
PubChem CID134534339
Molecular FormulaC26H23FN2O4S
Molecular Weight478.55 g/mol
Exact Mass478.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)NC4CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H23FN2O4S/c1-33-22-4-2-3-17(13-22)24-15-29(21-8-6-19(27)7-9-21)25-14-18(5-10-23(24)25)26(30)28-20-11-12-34(31,32)16-20/h2-10,13-15,20H,11-12,16H2,1H3,(H,28,30)
InChIKeyNWEWLPWUOOKODE-UHFFFAOYSA-N
XLogP4.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide (CID 134534339) is N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide is COc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)NC4CCS(=O)(=O)C4)ccc23)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide?
The InChIKey is NWEWLPWUOOKODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c1-33-22-4-2-3-17(13-22)24-15-29(21-8-6-19(27)7-9-21)25-14-18(5-10-23(24)25)26(30)28-20-11-12-34(31,32)16-20/h2-10,13-15,20H,11-12,16H2,1H3,(H,28,30).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)indole-6-carboxamide is sourced from PubChem (CID 134534339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).