4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide

C22H15ClN2O3S — CID 41073963

IUPAC4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12
InChIInChI=1S/C22H15ClN2O3S/c1-28-17-12-11-16(23)20-18(17)24-22(29-20)25-21(27)15-9-7-14(8-10-15)19(26)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,25,27)
InChIKeyCIKLHELWYFOOSE-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.44
Rot. Bonds5

About 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide

4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41073963) has the molecular formula C22H15ClN2O3S and a molecular weight of 422.89 g/mol. Its IUPAC name is 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41073963
Molecular FormulaC22H15ClN2O3S
Molecular Weight422.89 g/mol
Exact Mass422.05
IUPAC Name4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12
InChIInChI=1S/C22H15ClN2O3S/c1-28-17-12-11-16(23)20-18(17)24-22(29-20)25-21(27)15-9-7-14(8-10-15)19(26)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,25,27)
InChIKeyCIKLHELWYFOOSE-UHFFFAOYSA-N
XLogP5.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 7590122
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7590117
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7590113
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 41073963) is 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc(Cl)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12.
What is the InChIKey of 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CIKLHELWYFOOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3S/c1-28-17-12-11-16(23)20-18(17)24-22(29-20)25-21(27)15-9-7-14(8-10-15)19(26)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,25,27).
What are the key properties of 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 422.89 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41073963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).