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

C23H27N3O4S — CID 46813412

IUPAC4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC
InChIInChI=1S/C23H27N3O4S/c1-3-4-11-30-19-8-5-16(14-20(19)28-2)22(27)24-17-6-7-18-21(15-17)31-23(25-18)26-9-12-29-13-10-26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,27)
InChIKeyFXEFJODMRKTJEN-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.57
Rot. Bonds8

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

4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 46813412) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID46813412
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC
InChIInChI=1S/C23H27N3O4S/c1-3-4-11-30-19-8-5-16(14-20(19)28-2)22(27)24-17-6-7-18-21(15-17)31-23(25-18)26-9-12-29-13-10-26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,27)
InChIKeyFXEFJODMRKTJEN-UHFFFAOYSA-N
XLogP4.57
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 24793595
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261537
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 55939739

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide (CID 46813412) is 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is FXEFJODMRKTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-3-4-11-30-19-8-5-16(14-20(19)28-2)22(27)24-17-6-7-18-21(15-17)31-23(25-18)26-9-12-29-13-10-26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,27).
What are the key properties of 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 441.55 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 46813412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).