N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C24H22N2O3S — CID 8670835

IUPACN-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-16-9-11-19-22(13-16)30-24(25-19)26(15-17-7-5-4-6-8-17)23(27)18-10-12-20(28-2)21(14-18)29-3/h4-14H,15H2,1-3H3
InChIKeyHNSSYFIVCGWYQD-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.47
Rot. Bonds6

About N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 8670835) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID8670835
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-16-9-11-19-22(13-16)30-24(25-19)26(15-17-7-5-4-6-8-17)23(27)18-10-12-20(28-2)21(14-18)29-3/h4-14H,15H2,1-3H3
InChIKeyHNSSYFIVCGWYQD-UHFFFAOYSA-N
XLogP5.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-[2-(diethylamino)ethyl]-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511175
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
CID 41110107
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41116033
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 8670883
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40508102
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 41116053
2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 43966651

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 8670835) is N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)cc1OC.
What is the InChIKey of N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HNSSYFIVCGWYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-9-11-19-22(13-16)30-24(25-19)26(15-17-7-5-4-6-8-17)23(27)18-10-12-20(28-2)21(14-18)29-3/h4-14H,15H2,1-3H3.
What are the key properties of N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 8670835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).