5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

C12H14ClNO4S — CID 138024474

IUPAC5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)S2(=O)=O)c1ccc(Cl)o1
InChIInChI=1S/C12H14ClNO4S/c13-11-4-3-10(18-11)12(15)14-7-5-8-1-2-9(6-7)19(8,16)17/h3-4,7-9H,1-2,5-6H2,(H,14,15)
InChIKeyYRWDFLFJHHMASJ-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.77
Rot. Bonds2

About 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (PubChem CID 138024474) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
PubChem CID138024474
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)S2(=O)=O)c1ccc(Cl)o1
InChIInChI=1S/C12H14ClNO4S/c13-11-4-3-10(18-11)12(15)14-7-5-8-1-2-9(6-7)19(8,16)17/h3-4,7-9H,1-2,5-6H2,(H,14,15)
InChIKeyYRWDFLFJHHMASJ-UHFFFAOYSA-N
XLogP1.77
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544
5-chloro-N-(oxolan-3-yl)furan-2-carboxamide
CID 103839350
5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide
CID 103678730
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)furan-2-carboxamide
CID 104693605
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606885
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
methyl (1S,2R,3S,4S)-3-[(5-chlorofuran-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98357954
5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
CID 23027786
5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
CID 106133378
5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide
CID 138007289

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (CID 138024474) is 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is O=C(NC1CC2CCC(C1)S2(=O)=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The InChIKey is YRWDFLFJHHMASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-11-4-3-10(18-11)12(15)14-7-5-8-1-2-9(6-7)19(8,16)17/h3-4,7-9H,1-2,5-6H2,(H,14,15).
What are the key properties of 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 138024474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).