4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

C24H28ClN3O3S — CID 29138055

IUPAC4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C24H28ClN3O3S/c1-2-3-14-31-20-7-4-18(5-8-20)23(29)28(11-10-27-12-15-30-16-13-27)24-26-21-9-6-19(25)17-22(21)32-24/h4-9,17H,2-3,10-16H2,1H3
InChIKeyUVWXWMBLBWLFTL-UHFFFAOYSA-N
MW474.03 g/mol
LogP5.11
Rot. Bonds9

About 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 29138055) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID29138055
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C24H28ClN3O3S/c1-2-3-14-31-20-7-4-18(5-8-20)23(29)28(11-10-27-12-15-30-16-13-27)24-26-21-9-6-19(25)17-22(21)32-24/h4-9,17H,2-3,10-16H2,1H3
InChIKeyUVWXWMBLBWLFTL-UHFFFAOYSA-N
XLogP5.11
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.03
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
4-butoxy-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44929334
N-(6-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138107
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959419
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 25305370
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-pentoxybenzamide
CID 43959445
4-chloro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137744
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide
CID 29137716
N-(6-bromo-1,3-benzothiazol-2-yl)-3-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999179
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138104
3-butoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319384
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 43963235

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 29138055) is 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is CCCCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is UVWXWMBLBWLFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-2-3-14-31-20-7-4-18(5-8-20)23(29)28(11-10-27-12-15-30-16-13-27)24-26-21-9-6-19(25)17-22(21)32-24/h4-9,17H,2-3,10-16H2,1H3.
What are the key properties of 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 474.03 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 29138055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).