N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide

C22H17ClN2O2S — CID 54783416

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H17ClN2O2S/c23-17-9-10-19-20(14-17)28-22(24-19)25-21(26)16-7-4-8-18(13-16)27-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,24,25,26)
InChIKeyULHROCGAUIGTNU-UHFFFAOYSA-N
MW408.91 g/mol
LogP5.82
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide (PubChem CID 54783416) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
PubChem CID54783416
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H17ClN2O2S/c23-17-9-10-19-20(14-17)28-22(24-19)25-21(26)16-7-4-8-18(13-16)27-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,24,25,26)
InChIKeyULHROCGAUIGTNU-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 39380341
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hexoxybenzamide
CID 18854021
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
3-butoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8670645
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide (CID 54783416) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide?
The InChIKey is ULHROCGAUIGTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c23-17-9-10-19-20(14-17)28-22(24-19)25-21(26)16-7-4-8-18(13-16)27-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,24,25,26).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide has a molecular weight of 408.91 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 54783416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).