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

C21H24N2O2S — CID 41235388

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nc3c(CC)cccc3s2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-5-6-14-25-17-12-10-16(11-13-17)20(24)23-21-22-19-15(4-2)8-7-9-18(19)26-21/h7-13H,3-6,14H2,1-2H3,(H,22,23,24)
InChIKeyHBKWTLYTFCKEJI-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.68
Rot. Bonds8

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

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide (PubChem CID 41235388) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
PubChem CID41235388
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nc3c(CC)cccc3s2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-5-6-14-25-17-12-10-16(11-13-17)20(24)23-21-22-19-15(4-2)8-7-9-18(19)26-21/h7-13H,3-6,14H2,1-2H3,(H,22,23,24)
InChIKeyHBKWTLYTFCKEJI-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235389
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
4-butoxy-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40605559
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 42387687
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41047701
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hexoxybenzamide
CID 18854021
3-butoxy-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3483911

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide (CID 41235388) is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2nc3c(CC)cccc3s2)cc1.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
The InChIKey is HBKWTLYTFCKEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-5-6-14-25-17-12-10-16(11-13-17)20(24)23-21-22-19-15(4-2)8-7-9-18(19)26-21/h7-13H,3-6,14H2,1-2H3,(H,22,23,24).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide has a molecular weight of 368.50 g/mol, XLogP of 5.68, 8 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)-4-pentoxybenzamide is sourced from PubChem (CID 41235388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).