5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide

C20H20FN3O2S — CID 20915787

IUPAC5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCCc2cccs2)c(N2CCCC2=O)c2cc(F)ccc21
InChIInChI=1S/C20H20FN3O2S/c1-23-16-7-6-13(21)12-15(16)18(24-10-2-5-17(24)25)19(23)20(26)22-9-8-14-4-3-11-27-14/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,22,26)
InChIKeyRWRUXFJDGQOKGP-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.48
Rot. Bonds5

About 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide

5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide (PubChem CID 20915787) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
PubChem CID20915787
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCCc2cccs2)c(N2CCCC2=O)c2cc(F)ccc21
InChIInChI=1S/C20H20FN3O2S/c1-23-16-7-6-13(21)12-15(16)18(24-10-2-5-17(24)25)19(23)20(26)22-9-8-14-4-3-11-27-14/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,22,26)
InChIKeyRWRUXFJDGQOKGP-UHFFFAOYSA-N
XLogP3.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide (CID 20915787) is 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide is Cn1c(C(=O)NCCc2cccs2)c(N2CCCC2=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
The InChIKey is RWRUXFJDGQOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-23-16-7-6-13(21)12-15(16)18(24-10-2-5-17(24)25)19(23)20(26)22-9-8-14-4-3-11-27-14/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,22,26).
What are the key properties of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 20915787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).