ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate

C27H25N3O6S2 — CID 142720300

IUPACethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1
InChIInChI=1S/C27H25N3O6S2/c1-4-35-24(31)15-20-16-37-27(29-20)30-26(32)19-12-18(25-17(2)6-5-11-28-25)13-22(14-19)36-21-7-9-23(10-8-21)38(3,33)34/h5-14,16H,4,15H2,1-3H3,(H,29,30,32)
InChIKeyNUDDMLPASPCTTG-UHFFFAOYSA-N
MW551.65 g/mol
LogP5.07
Rot. Bonds9

About ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 142720300) has the molecular formula C27H25N3O6S2 and a molecular weight of 551.65 g/mol. Its IUPAC name is ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID142720300
Molecular FormulaC27H25N3O6S2
Molecular Weight551.65 g/mol
Exact Mass551.12
IUPAC Nameethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1
InChIInChI=1S/C27H25N3O6S2/c1-4-35-24(31)15-20-16-37-27(29-20)30-26(32)19-12-18(25-17(2)6-5-11-28-25)13-22(14-19)36-21-7-9-23(10-8-21)38(3,33)34/h5-14,16H,4,15H2,1-3H3,(H,29,30,32)
InChIKeyNUDDMLPASPCTTG-UHFFFAOYSA-N
XLogP5.07
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate 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-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
CID 90655314
3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 142720288
3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 77107873
N-[4-[[1,3-dioxolan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
CID 142720319
[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoyl]-4-(3-methyl-2-pyridinyl)-6-(4-methylsulfonylphenoxy)phenyl] 2,2,2-trifluoroacetate
CID 142720259
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
[4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylphenoxy)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 2,2,2-trifluoroacetate
CID 142720269
[4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylphenoxy)-6-[[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 2,2,2-trifluoroacetate
CID 142720313
N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
CID 77107473
ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24598327
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxybutan-2-yloxy)-5-(4-methylsulfonylphenoxy)benzamide
CID 10458860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 142720300) is ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1.
What is the InChIKey of ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NUDDMLPASPCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6S2/c1-4-35-24(31)15-20-16-37-27(29-20)30-26(32)19-12-18(25-17(2)6-5-11-28-25)13-22(14-19)36-21-7-9-23(10-8-21)38(3,33)34/h5-14,16H,4,15H2,1-3H3,(H,29,30,32).
What are the key properties of ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 551.65 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 142720300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).