N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide

C22H18N2O2S — CID 41235420

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
SMILESCCc1cccc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)nc12
InChIInChI=1S/C22H18N2O2S/c1-2-15-8-7-13-19-20(15)23-22(27-19)24-21(25)16-9-6-12-18(14-16)26-17-10-4-3-5-11-17/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyNHXPZEOTDSIODM-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.90
Rot. Bonds5

About N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide (PubChem CID 41235420) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
PubChem CID41235420
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
SMILESCCc1cccc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)nc12
InChIInChI=1S/C22H18N2O2S/c1-2-15-8-7-13-19-20(15)23-22(27-19)24-21(25)16-9-6-12-18(14-16)26-17-10-4-3-5-11-17/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyNHXPZEOTDSIODM-UHFFFAOYSA-N
XLogP5.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 41116005
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide (CID 41235420) is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide is CCc1cccc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
The InChIKey is NHXPZEOTDSIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-15-8-7-13-19-20(15)23-22(27-19)24-21(25)16-9-6-12-18(14-16)26-17-10-4-3-5-11-17/h3-14H,2H2,1H3,(H,23,24,25).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide has a molecular weight of 374.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide is sourced from PubChem (CID 41235420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).