3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide

C20H20N2O4S — CID 66745646

IUPAC3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccoc2)cc2c(C3CC4CCC(C3)S4(=O)=O)c[nH]c12
InChIInChI=1S/C20H20N2O4S/c21-20(23)17-8-12(11-3-4-26-10-11)7-16-18(9-22-19(16)17)13-5-14-1-2-15(6-13)27(14,24)25/h3-4,7-10,13-15,22H,1-2,5-6H2,(H2,21,23)
InChIKeyMYZLSHOFZIZVIY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.35
Rot. Bonds3

About 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide

3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide (PubChem CID 66745646) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide
PubChem CID66745646
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccoc2)cc2c(C3CC4CCC(C3)S4(=O)=O)c[nH]c12
InChIInChI=1S/C20H20N2O4S/c21-20(23)17-8-12(11-3-4-26-10-11)7-16-18(9-22-19(16)17)13-5-14-1-2-15(6-13)27(14,24)25/h3-4,7-10,13-15,22H,1-2,5-6H2,(H2,21,23)
InChIKeyMYZLSHOFZIZVIY-UHFFFAOYSA-N
XLogP3.35
TPSA106.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide with MolForge

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Related Compounds

5-phenyl-3-{1-[(3-{[2-(trifluoromethyl)phenyl]oxy}propyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide
CID 11570609
5-[(3,4-difluorophenyl)methoxy]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 16735976
3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide
CID 16735979
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]-1H-indole-7-carboxamide
CID 57732714
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-1H-indole-7-carboxamide
CID 57732752
3-[1-({3-[(4-fluorophenyl)oxy]propyl}sulfonyl)-4-piperidinyl]-5-phenyl-1H-indole-7-carboxamide
CID 59003324
5-phenyl-3-{1-[(3-{[3-(trifluoromethyl)phenyl]oxy}propyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide
CID 59003360
5-(5-{[(2,2-dimethylpropyl)amino]methyl}-3-furanyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide trifluoroacetate
CID 66722753
5-(5-{[(cyclopentylmethyl)amino]methyl}-3-furanyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide trifluoroacetate
CID 66722757
5-{5-[(diethylamino)methyl]-3-furanyl}-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide trifluoroacetate
CID 66722911
3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[5-(1-pyrrolidinylmethyl)-3-furanyl]-1H-indole-7-carboxamide trifluoroacetate
CID 66722947
3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[(2-methylpropyl)amino]methyl}-3-furanyl)-1H-indole-7-carboxamide trifluoroacetate
CID 66722984

Frequently Asked Questions

What is the IUPAC name of 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide?
The IUPAC name of 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide (CID 66745646) is 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccoc2)cc2c(C3CC4CCC(C3)S4(=O)=O)c[nH]c12.
What is the InChIKey of 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide?
The InChIKey is MYZLSHOFZIZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c21-20(23)17-8-12(11-3-4-26-10-11)7-16-18(9-22-19(16)17)13-5-14-1-2-15(6-13)27(14,24)25/h3-4,7-10,13-15,22H,1-2,5-6H2,(H2,21,23).
What are the key properties of 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide?
3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 66745646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).