N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

C23H26N2O4S — CID 16849252

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)N(CC2CCCO2)c2nc3c(C)ccc(C)c3s2)c1
InChIInChI=1S/C23H26N2O4S/c1-14-7-8-15(2)21-20(14)24-23(30-21)25(13-17-6-5-11-29-17)22(26)18-12-16(27-3)9-10-19(18)28-4/h7-10,12,17H,5-6,11,13H2,1-4H3
InChIKeyJFVSWGBKEHKROL-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.76
Rot. Bonds6

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 16849252) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID16849252
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)N(CC2CCCO2)c2nc3c(C)ccc(C)c3s2)c1
InChIInChI=1S/C23H26N2O4S/c1-14-7-8-15(2)21-20(14)24-23(30-21)25(13-17-6-5-11-29-17)22(26)18-12-16(27-3)9-10-19(18)28-4/h7-10,12,17H,5-6,11,13H2,1-4H3
InChIKeyJFVSWGBKEHKROL-UHFFFAOYSA-N
XLogP4.76
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589915
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989745
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8720224
2-(2,5-dimethylphenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989690
N-(1,3-benzothiazol-2-yl)-2-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78804293
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589900
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966634
N-(4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966618
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989709
N-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 40967638
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839097
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 16848639

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 16849252) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(OC)c(C(=O)N(CC2CCCO2)c2nc3c(C)ccc(C)c3s2)c1.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JFVSWGBKEHKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-14-7-8-15(2)21-20(14)24-23(30-21)25(13-17-6-5-11-29-17)22(26)18-12-16(27-3)9-10-19(18)28-4/h7-10,12,17H,5-6,11,13H2,1-4H3.
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 426.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 16849252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).