3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C25H27N3O6S — CID 4967486

IUPAC3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)sc2C)cc1
InChIInChI=1S/C25H27N3O6S/c1-16-23(17-4-7-19(31-2)8-5-17)26-25(35-16)27-24(30)18-6-9-20(21(14-18)32-3)34-15-22(29)28-10-12-33-13-11-28/h4-9,14H,10-13,15H2,1-3H3,(H,26,27,30)
InChIKeyICYFQHGEAKLFCQ-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.63
Rot. Bonds8

About 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 4967486) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID4967486
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)sc2C)cc1
InChIInChI=1S/C25H27N3O6S/c1-16-23(17-4-7-19(31-2)8-5-17)26-25(35-16)27-24(30)18-6-9-20(21(14-18)32-3)34-15-22(29)28-10-12-33-13-11-28/h4-9,14H,10-13,15H2,1-3H3,(H,26,27,30)
InChIKeyICYFQHGEAKLFCQ-UHFFFAOYSA-N
XLogP3.63
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 4967486) is 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1ccc(-c2nc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)sc2C)cc1.
What is the InChIKey of 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is ICYFQHGEAKLFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-16-23(17-4-7-19(31-2)8-5-17)26-25(35-16)27-24(30)18-6-9-20(21(14-18)32-3)34-15-22(29)28-10-12-33-13-11-28/h4-9,14H,10-13,15H2,1-3H3,(H,26,27,30).
What are the key properties of 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 497.57 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 4967486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).