N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide

C21H15ClN2O2S — CID 11280885

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1
InChIInChI=1S/C21H15ClN2O2S/c1-26-15-12-10-14(11-13-15)24(20(25)16-6-2-3-7-17(16)22)21-23-18-8-4-5-9-19(18)27-21/h2-13H,1H3
InChIKeyNWGLNYHHZREFNA-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.94
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide

N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide (PubChem CID 11280885) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
PubChem CID11280885
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1
InChIInChI=1S/C21H15ClN2O2S/c1-26-15-12-10-14(11-13-15)24(20(25)16-6-2-3-7-17(16)22)21-23-18-8-4-5-9-19(18)27-21/h2-13H,1H3
InChIKeyNWGLNYHHZREFNA-UHFFFAOYSA-N
XLogP5.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624
N-[4-(aminomethoxy)phenyl]-N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzamide
CID 142980039
2-chloro-N-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 11465553
2-chloro-N-(3,4-dimethoxyphenyl)-N-[6-(sulfonylamino)-1,3-benzothiazol-2-yl]benzamide
CID 87765021
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzamide;N-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazol-2-amine
CID 157050743
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 2349256
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
2-chloro-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511771
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide
CID 11364492
N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
CID 4625786
2-[(2-chlorobenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511226

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide (CID 11280885) is N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide is COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide?
The InChIKey is NWGLNYHHZREFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c1-26-15-12-10-14(11-13-15)24(20(25)16-6-2-3-7-17(16)22)21-23-18-8-4-5-9-19(18)27-21/h2-13H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 11280885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).