methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate

C24H24N2O7S — CID 153156092

IUPACmethyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate
SMILESCOC(=O)CCC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC
InChIInChI=1S/C24H24N2O7S/c1-30-18-8-4-15(5-9-18)19-14-34-24(25-19)26-23(29)16-6-10-20(21(12-16)31-2)33-13-17(27)7-11-22(28)32-3/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,25,26,29)
InChIKeyWBKRSIJOMAYVEF-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.98
Rot. Bonds11

About methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate

methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate (PubChem CID 153156092) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate
PubChem CID153156092
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Namemethyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate
SMILESCOC(=O)CCC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC
InChIInChI=1S/C24H24N2O7S/c1-30-18-8-4-15(5-9-18)19-14-34-24(25-19)26-23(29)16-6-10-20(21(12-16)31-2)33-13-17(27)7-11-22(28)32-3/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,25,26,29)
InChIKeyWBKRSIJOMAYVEF-UHFFFAOYSA-N
XLogP3.98
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate with MolForge

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Related Compounds

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide
CID 161354696
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 126537956
4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 126507920
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 126537954
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 18285465

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate?
The IUPAC name of methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate (CID 153156092) is methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate.
What is the SMILES notation for methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate?
The canonical SMILES for methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate is COC(=O)CCC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC.
What is the InChIKey of methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate?
The InChIKey is WBKRSIJOMAYVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-30-18-8-4-15(5-9-18)19-14-34-24(25-19)26-23(29)16-6-10-20(21(12-16)31-2)33-13-17(27)7-11-22(28)32-3/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,25,26,29).
What are the key properties of methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate?
methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate has a molecular weight of 484.53 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate is sourced from PubChem (CID 153156092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).