3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide

C18H17FN2O3S2 — CID 59332763

IUPAC3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)c(F)c2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C18H17FN2O3S2/c19-16-12(11-1-4-25-9-11)7-13(18(20)22)17-15(16)14(8-21-17)10-2-5-26(23,24)6-3-10/h1,4,7-10,21H,2-3,5-6H2,(H2,20,22)
InChIKeyQGMHYKUKMNMPBM-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.43
Rot. Bonds3

About 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide

3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide (PubChem CID 59332763) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide
PubChem CID59332763
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)c(F)c2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C18H17FN2O3S2/c19-16-12(11-1-4-25-9-11)7-13(18(20)22)17-15(16)14(8-21-17)10-2-5-26(23,24)6-3-10/h1,4,7-10,21H,2-3,5-6H2,(H2,20,22)
InChIKeyQGMHYKUKMNMPBM-UHFFFAOYSA-N
XLogP3.43
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide (CID 59332763) is 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccsc2)c(F)c2c(C3CCS(=O)(=O)CC3)c[nH]c12.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide?
The InChIKey is QGMHYKUKMNMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c19-16-12(11-1-4-25-9-11)7-13(18(20)22)17-15(16)14(8-21-17)10-2-5-26(23,24)6-3-10/h1,4,7-10,21H,2-3,5-6H2,(H2,20,22).
What are the key properties of 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide?
3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-4-fluoro-5-thiophen-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 59332763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).