(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C18H15ClN2O2S — CID 8006570

IUPAC(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2c1
InChIInChI=1S/C18H15ClN2O2S/c1-2-10-3-5-13-16(7-10)24-18(20-13)21-17(22)15-9-11-8-12(19)4-6-14(11)23-15/h3-8,15H,2,9H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyPDQSYMHSNNMCRP-OAHLLOKOSA-N
MW358.85 g/mol
LogP4.45
Rot. Bonds3

About (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 8006570) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID8006570
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2c1
InChIInChI=1S/C18H15ClN2O2S/c1-2-10-3-5-13-16(7-10)24-18(20-13)21-17(22)15-9-11-8-12(19)4-6-14(11)23-15/h3-8,15H,2,9H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyPDQSYMHSNNMCRP-OAHLLOKOSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090235
(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26693364
5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51295628
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26687760
(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
(2R)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9112839
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 8006570) is (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCc1ccc2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2c1.
What is the InChIKey of (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PDQSYMHSNNMCRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-2-10-3-5-13-16(7-10)24-18(20-13)21-17(22)15-9-11-8-12(19)4-6-14(11)23-15/h3-8,15H,2,9H2,1H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8006570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).