1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C20H23N3O4S — CID 31151535

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)o1
InChIInChI=1S/C20H23N3O4S/c1-14-7-8-16(27-14)13-22(2)20(24)15-9-11-23(12-10-15)19-17-5-3-4-6-18(17)28(25,26)21-19/h3-8,15H,9-13H2,1-2H3
InChIKeyUGDSHNBQMLNSFH-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.41
Rot. Bonds3

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 31151535) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID31151535
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)o1
InChIInChI=1S/C20H23N3O4S/c1-14-7-8-16(27-14)13-22(2)20(24)15-9-11-23(12-10-15)19-17-5-3-4-6-18(17)28(25,26)21-19/h3-8,15H,9-13H2,1-2H3
InChIKeyUGDSHNBQMLNSFH-UHFFFAOYSA-N
XLogP2.41
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 31151535) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)o1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UGDSHNBQMLNSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-7-8-16(27-14)13-22(2)20(24)15-9-11-23(12-10-15)19-17-5-3-4-6-18(17)28(25,26)21-19/h3-8,15H,9-13H2,1-2H3.
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 31151535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).