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

C22H17ClN2OS — CID 2345159

IUPACN-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17ClN2OS/c1-2-15-7-13-18(14-8-15)25(21(26)16-9-11-17(23)12-10-16)22-24-19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3
InChIKeyGKSDJMUXCACUFE-UHFFFAOYSA-N
MW392.91 g/mol
LogP6.49
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide (PubChem CID 2345159) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
PubChem CID2345159
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17ClN2OS/c1-2-15-7-13-18(14-8-15)25(21(26)16-9-11-17(23)12-10-16)22-24-19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3
InChIKeyGKSDJMUXCACUFE-UHFFFAOYSA-N
XLogP6.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide
CID 18276310
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
CID 2384867
N-(1,3-benzothiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 55381075
(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 7947698
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1,4-dithiane-2-carboxamide
CID 112760795
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657044
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603331
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830366

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide (CID 2345159) is N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide is CCc1ccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide?
The InChIKey is GKSDJMUXCACUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c1-2-15-7-13-18(14-8-15)25(21(26)16-9-11-17(23)12-10-16)22-24-19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide has a molecular weight of 392.91 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 2345159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).