N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C19H21N3O4S — CID 133287159

IUPACN-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)o1
InChIInChI=1S/C19H21N3O4S/c1-12-11-16(13(2)26-12)19(23)20-14-7-9-22(10-8-14)18-15-5-3-4-6-17(15)27(24,25)21-18/h3-6,11,14H,7-10H2,1-2H3,(H,20,23)
InChIKeySNMMJWITUIGRRA-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.24
Rot. Bonds2

About N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 133287159) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID133287159
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)o1
InChIInChI=1S/C19H21N3O4S/c1-12-11-16(13(2)26-12)19(23)20-14-7-9-22(10-8-14)18-15-5-3-4-6-17(15)27(24,25)21-18/h3-6,11,14H,7-10H2,1-2H3,(H,20,23)
InChIKeySNMMJWITUIGRRA-UHFFFAOYSA-N
XLogP2.24
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 8002141
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 31151535
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133294308
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
CID 26011709
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454171
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133361200
N-(2,4-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806541
N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 154785288
(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 26574894
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
CID 80701942

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 133287159) is N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)o1.
What is the InChIKey of N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SNMMJWITUIGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-11-16(13(2)26-12)19(23)20-14-7-9-22(10-8-14)18-15-5-3-4-6-17(15)27(24,25)21-18/h3-6,11,14H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 133287159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).