methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate

C28H24Cl2N2O4S — CID 71266699

IUPACmethyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(-c3snc(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C28H24Cl2N2O4S/c1-16-26(31-28(34)36-17(2)21-6-4-5-7-23(21)29)27(37-32-16)20-11-9-19(10-12-20)22-13-8-18(14-24(22)30)15-25(33)35-3/h4-14,17H,15H2,1-3H3,(H,31,34)/t17-/m1/s1
InChIKeySCJVDFYTWFLYTQ-QGZVFWFLSA-N
MW555.48 g/mol
LogP8.12
Rot. Bonds7

About methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate

methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate (PubChem CID 71266699) has the molecular formula C28H24Cl2N2O4S and a molecular weight of 555.48 g/mol. Its IUPAC name is methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate
PubChem CID71266699
Molecular FormulaC28H24Cl2N2O4S
Molecular Weight555.48 g/mol
Exact Mass554.08
IUPAC Namemethyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(-c3snc(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C28H24Cl2N2O4S/c1-16-26(31-28(34)36-17(2)21-6-4-5-7-23(21)29)27(37-32-16)20-11-9-19(10-12-20)22-13-8-18(14-24(22)30)15-25(33)35-3/h4-14,17H,15H2,1-3H3,(H,31,34)/t17-/m1/s1
InChIKeySCJVDFYTWFLYTQ-QGZVFWFLSA-N
XLogP8.12
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.48
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]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

methyl 2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]-3-methylphenyl]acetate
CID 71267116
2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]-3-methylphenyl]acetic acid
CID 71267118
methyl 2-[4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]-2-fluorophenyl]acetate
CID 78057800
[(1R)-1-(2-chlorophenyl)ethyl] N-[5-(4-amino-2-chloro-5-fluorophenyl)-3-methyl-1,2-thiazol-4-yl]carbamate
CID 89449117
1-[7-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]-9,10-dihydrophenanthren-2-yl]cyclopropane-1-carboxylic acid
CID 78057819
1-[4-[2-chloro-4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]-5-fluorophenyl]phenyl]cyclopropane-1-carboxylic acid
CID 78058000
methyl 1-[6-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]-3-pyridinyl]cyclopropane-1-carboxylate
CID 71266466
2-[6-[2-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]acetic acid
CID 71267062
disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide
CID 158380566
2-[4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-5-methylfuran-3-yl]phenyl]phenyl]acetic acid
CID 71266603
methyl 2-[2-[[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]benzoyl]amino]phenyl]acetate
CID 90428050
2-[4-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]phenyl]acetic acid
CID 70875811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate (CID 71266699) is methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate is COC(=O)Cc1ccc(-c2ccc(-c3snc(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)cc2)c(Cl)c1.
What is the InChIKey of methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate?
The InChIKey is SCJVDFYTWFLYTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H24Cl2N2O4S/c1-16-26(31-28(34)36-17(2)21-6-4-5-7-23(21)29)27(37-32-16)20-11-9-19(10-12-20)22-13-8-18(14-24(22)30)15-25(33)35-3/h4-14,17H,15H2,1-3H3,(H,31,34)/t17-/m1/s1.
What are the key properties of methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate?
methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate has a molecular weight of 555.48 g/mol, XLogP of 8.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetate is sourced from PubChem (CID 71266699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).