N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide

C21H25N3O4S — CID 91634516

IUPACN-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide
SMILESCCCCN1C(C2CCCC2)=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C21H25N3O4S/c1-2-3-12-24-17-11-10-16(22-21(25)18-9-6-13-28-18)14-19(17)29(26,27)23-20(24)15-7-4-5-8-15/h6,9-11,13-15H,2-5,7-8,12H2,1H3,(H,22,25)
InChIKeyFGBGAAYZTZECFD-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.43
Rot. Bonds6

About N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide

N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide (PubChem CID 91634516) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide
PubChem CID91634516
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide
SMILESCCCCN1C(C2CCCC2)=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C21H25N3O4S/c1-2-3-12-24-17-11-10-16(22-21(25)18-9-6-13-28-18)14-19(17)29(26,27)23-20(24)15-7-4-5-8-15/h6,9-11,13-15H,2-5,7-8,12H2,1H3,(H,22,25)
InChIKeyFGBGAAYZTZECFD-UHFFFAOYSA-N
XLogP4.43
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide with MolForge

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Related Compounds

methyl 3-butyl-6-[3-(furan-2-carbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3993214
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055654
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 1092657
ethyl 3-butyl-6-[3-(furan-2-carbonylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 42756598
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 2976308
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide (CID 91634516) is N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide is CCCCN1C(C2CCCC2)=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc21.
What is the InChIKey of N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide?
The InChIKey is FGBGAAYZTZECFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-2-3-12-24-17-11-10-16(22-21(25)18-9-6-13-28-18)14-19(17)29(26,27)23-20(24)15-7-4-5-8-15/h6,9-11,13-15H,2-5,7-8,12H2,1H3,(H,22,25).
What are the key properties of N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide?
N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 91634516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).