3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide

C20H22N2O4S — CID 7192918

IUPAC3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)c1
InChIInChI=1S/C20H22N2O4S/c1-4-5-11-26-14-8-6-7-13(12-14)19(23)22-20-21-17-15(24-2)9-10-16(25-3)18(17)27-20/h6-10,12H,4-5,11H2,1-3H3,(H,21,22,23)
InChIKeyLGVQOGWRNOHDNZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.74
Rot. Bonds8

About 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide

3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7192918) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7192918
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)c1
InChIInChI=1S/C20H22N2O4S/c1-4-5-11-26-14-8-6-7-13(12-14)19(23)22-20-21-17-15(24-2)9-10-16(25-3)18(17)27-20/h6-10,12H,4-5,11H2,1-3H3,(H,21,22,23)
InChIKeyLGVQOGWRNOHDNZ-UHFFFAOYSA-N
XLogP4.74
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
3-butoxy-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3483911
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
3-butoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8670645
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056401
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-pentoxybenzamide
CID 41344697

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide (CID 7192918) is 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide is CCCCOc1cccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)c1.
What is the InChIKey of 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LGVQOGWRNOHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-5-11-26-14-8-6-7-13(12-14)19(23)22-20-21-17-15(24-2)9-10-16(25-3)18(17)27-20/h6-10,12H,4-5,11H2,1-3H3,(H,21,22,23).
What are the key properties of 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7192918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).