N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C20H20N2O5S — CID 46577798

IUPACN-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c(OC)c1
InChIInChI=1S/C20H20N2O5S/c1-24-15-5-6-16(18(9-15)25-2)22-20(23)13-4-7-17(19(8-13)26-3)27-10-14-11-28-12-21-14/h4-9,11-12H,10H2,1-3H3,(H,22,23)
InChIKeyIXCQEQUBUOLJCR-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.00
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 46577798) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID46577798
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c(OC)c1
InChIInChI=1S/C20H20N2O5S/c1-24-15-5-6-16(18(9-15)25-2)22-20(23)13-4-7-17(19(8-13)26-3)27-10-14-11-28-12-21-14/h4-9,11-12H,10H2,1-3H3,(H,22,23)
InChIKeyIXCQEQUBUOLJCR-UHFFFAOYSA-N
XLogP4.00
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37084492
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55973162
N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55894721
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 46577798) is N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1ccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is IXCQEQUBUOLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-24-15-5-6-16(18(9-15)25-2)22-20(23)13-4-7-17(19(8-13)26-3)27-10-14-11-28-12-21-14/h4-9,11-12H,10H2,1-3H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 400.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 46577798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).