N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C21H18N2O3S — CID 4878652

IUPACN-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CC1CCCO1)c1nc2ccccc2s1
InChIInChI=1S/C21H18N2O3S/c24-20(18-12-14-6-1-3-9-17(14)26-18)23(13-15-7-5-11-25-15)21-22-16-8-2-4-10-19(16)27-21/h1-4,6,8-10,12,15H,5,7,11,13H2
InChIKeyKPBQESUELFOSEZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.87
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 4878652) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID4878652
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CC1CCCO1)c1nc2ccccc2s1
InChIInChI=1S/C21H18N2O3S/c24-20(18-12-14-6-1-3-9-17(14)26-18)23(13-15-7-5-11-25-15)21-22-16-8-2-4-10-19(16)27-21/h1-4,6,8-10,12,15H,5,7,11,13H2
InChIKeyKPBQESUELFOSEZ-UHFFFAOYSA-N
XLogP4.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 4878652) is N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(c1cc2ccccc2o1)N(CC1CCCO1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KPBQESUELFOSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-20(18-12-14-6-1-3-9-17(14)26-18)23(13-15-7-5-11-25-15)21-22-16-8-2-4-10-19(16)27-21/h1-4,6,8-10,12,15H,5,7,11,13H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4878652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).