N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide

C23H15ClN2O3S — CID 25249370

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1oc2ccccc2c1Cl
InChIInChI=1S/C23H15ClN2O3S/c1-28-18-11-10-13(23-26-15-7-3-5-9-19(15)30-23)12-16(18)25-22(27)21-20(24)14-6-2-4-8-17(14)29-21/h2-12H,1H3,(H,25,27)
InChIKeyOWWMGAHYXGIFFE-UHFFFAOYSA-N
MW434.90 g/mol
LogP6.62
Rot. Bonds4

About N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide (PubChem CID 25249370) has the molecular formula C23H15ClN2O3S and a molecular weight of 434.90 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide
PubChem CID25249370
Molecular FormulaC23H15ClN2O3S
Molecular Weight434.90 g/mol
Exact Mass434.05
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1oc2ccccc2c1Cl
InChIInChI=1S/C23H15ClN2O3S/c1-28-18-11-10-13(23-26-15-7-3-5-9-19(15)30-23)12-16(18)25-22(27)21-20(24)14-6-2-4-8-17(14)29-21/h2-12H,1H3,(H,25,27)
InChIKeyOWWMGAHYXGIFFE-UHFFFAOYSA-N
XLogP6.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-chloro-4-(hydroxyamino)benzamide
CID 88990043
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4-dimethoxybenzamide
CID 1048170
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 4508360
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17316068
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3,4-dichlorobenzamide
CID 3781166
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 2276469
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 3311978
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-methylpropanamide
CID 3744571
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-chloro-4-methylbenzamide
CID 4508674
(E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-phenylprop-2-enamide
CID 17096522
(E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17116589
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-bromobenzamide
CID 4508519

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide (CID 25249370) is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide is COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1oc2ccccc2c1Cl.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide?
The InChIKey is OWWMGAHYXGIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O3S/c1-28-18-11-10-13(23-26-15-7-3-5-9-19(15)30-23)12-16(18)25-22(27)21-20(24)14-6-2-4-8-17(14)29-21/h2-12H,1H3,(H,25,27).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide has a molecular weight of 434.90 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25249370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).