3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide

C23H28N2O4S — CID 41203011

IUPAC3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
SMILESCCCCOc1cccc(C(=O)/N=c2\sc3cccc(OC)c3n2CCOCC)c1
InChIInChI=1S/C23H28N2O4S/c1-4-6-14-29-18-10-7-9-17(16-18)22(26)24-23-25(13-15-28-5-2)21-19(27-3)11-8-12-20(21)30-23/h7-12,16H,4-6,13-15H2,1-3H3/b24-23-
InChIKeyVBBXQYJDEDHUPL-VHXPQNKSSA-N
MW428.55 g/mol
LogP4.67
Rot. Bonds10

About 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide

3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 41203011) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
PubChem CID41203011
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
SMILESCCCCOc1cccc(C(=O)/N=c2\sc3cccc(OC)c3n2CCOCC)c1
InChIInChI=1S/C23H28N2O4S/c1-4-6-14-29-18-10-7-9-17(16-18)22(26)24-23-25(13-15-28-5-2)21-19(27-3)11-8-12-20(21)30-23/h7-12,16H,4-6,13-15H2,1-3H3/b24-23-
InChIKeyVBBXQYJDEDHUPL-VHXPQNKSSA-N
XLogP4.67
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.67
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-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
CID 7153214
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide
CID 41203229
3-methoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7152892
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 41202754
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 40888297
methyl 4-[[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 7153287
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202319
N-[4,5-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide
CID 41202477
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157
4-butoxy-N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43943813
methyl 2-[2-(3-butoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate
CID 41204906
3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7541324

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide?
The IUPAC name of 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide (CID 41203011) is 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide is CCCCOc1cccc(C(=O)/N=c2\sc3cccc(OC)c3n2CCOCC)c1.
What is the InChIKey of 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide?
The InChIKey is VBBXQYJDEDHUPL-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-6-14-29-18-10-7-9-17(16-18)22(26)24-23-25(13-15-28-5-2)21-19(27-3)11-8-12-20(21)30-23/h7-12,16H,4-6,13-15H2,1-3H3/b24-23-.
What are the key properties of 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide?
3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 428.55 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 41203011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).