4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide

C20H17N3O4S — CID 18116885

IUPAC4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1
InChIInChI=1S/C20H17N3O4S/c1-13(17-6-4-12-27-17)21-20(24)14-8-10-15(11-9-14)22-19-16-5-2-3-7-18(16)28(25,26)23-19/h2-13H,1H3,(H,21,24)(H,22,23)
InChIKeyYMRULSQRTCISET-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.33
Rot. Bonds4

About 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 18116885) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID18116885
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1
InChIInChI=1S/C20H17N3O4S/c1-13(17-6-4-12-27-17)21-20(24)14-8-10-15(11-9-14)22-19-16-5-2-3-7-18(16)28(25,26)23-19/h2-13H,1H3,(H,21,24)(H,22,23)
InChIKeyYMRULSQRTCISET-UHFFFAOYSA-N
XLogP3.33
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide (CID 18116885) is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1.
What is the InChIKey of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is YMRULSQRTCISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13(17-6-4-12-27-17)21-20(24)14-8-10-15(11-9-14)22-19-16-5-2-3-7-18(16)28(25,26)23-19/h2-13H,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide?
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 395.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 18116885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).