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

C24H25N3O6S — CID 2469116

IUPAC3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1
InChIInChI=1S/C24H25N3O6S/c1-30-18-6-3-16(4-7-18)19-15-34-24(25-19)26-23(29)17-5-8-20(21(13-17)31-2)33-14-22(28)27-9-11-32-12-10-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)
InChIKeySJPVXFZDWAIFFT-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.32
Rot. Bonds8

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

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 2469116) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID2469116
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1
InChIInChI=1S/C24H25N3O6S/c1-30-18-6-3-16(4-7-18)19-15-34-24(25-19)26-23(29)17-5-8-20(21(13-17)31-2)33-14-22(28)27-9-11-32-12-10-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)
InChIKeySJPVXFZDWAIFFT-UHFFFAOYSA-N
XLogP3.32
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.32
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)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 2469116) is 3-methoxy-N-[4-(4-methoxyphenyl)-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)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is SJPVXFZDWAIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-30-18-6-3-16(4-7-18)19-15-34-24(25-19)26-23(29)17-5-8-20(21(13-17)31-2)33-14-22(28)27-9-11-32-12-10-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29).
What are the key properties of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.32, 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)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 2469116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).