N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide

C22H17ClN2O3S — CID 39380341

IUPACN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
SMILESCOc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl
InChIInChI=1S/C22H17ClN2O3S/c1-27-19-12-20-18(11-17(19)23)24-22(29-20)25-21(26)15-8-5-9-16(10-15)28-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25,26)
InChIKeyQYKXPNXLULFNBJ-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.79
Rot. Bonds6

About N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide (PubChem CID 39380341) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
PubChem CID39380341
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
SMILESCOc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl
InChIInChI=1S/C22H17ClN2O3S/c1-27-19-12-20-18(11-17(19)23)24-22(29-20)25-21(26)15-8-5-9-16(10-15)28-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25,26)
InChIKeyQYKXPNXLULFNBJ-UHFFFAOYSA-N
XLogP5.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3332338
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
CID 54783416
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
4-chloro-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 40614068
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3161344
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
The IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide (CID 39380341) is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide is COc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
The InChIKey is QYKXPNXLULFNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-27-19-12-20-18(11-17(19)23)24-22(29-20)25-21(26)15-8-5-9-16(10-15)28-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25,26).
What are the key properties of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide has a molecular weight of 424.91 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 39380341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).