ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate

C26H26Cl2N2O3S — CID 66609665

IUPACethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)s2)CC1
InChIInChI=1S/C26H26Cl2N2O3S/c1-2-33-24(31)13-16-3-5-18(6-4-16)26-29-15-23(34-26)17-7-10-20(11-8-17)30-25(32)21-12-9-19(27)14-22(21)28/h7-12,14-16,18H,2-6,13H2,1H3,(H,30,32)
InChIKeyXSVPEGYJBMTGQC-UHFFFAOYSA-N
MW517.48 g/mol
LogP7.60
Rot. Bonds7

About ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate

ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate (PubChem CID 66609665) has the molecular formula C26H26Cl2N2O3S and a molecular weight of 517.48 g/mol. Its IUPAC name is ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate
PubChem CID66609665
Molecular FormulaC26H26Cl2N2O3S
Molecular Weight517.48 g/mol
Exact Mass516.10
IUPAC Nameethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)s2)CC1
InChIInChI=1S/C26H26Cl2N2O3S/c1-2-33-24(31)13-16-3-5-18(6-4-16)26-29-15-23(34-26)17-7-10-20(11-8-17)30-25(32)21-12-9-19(27)14-22(21)28/h7-12,14-16,18H,2-6,13H2,1H3,(H,30,32)
InChIKeyXSVPEGYJBMTGQC-UHFFFAOYSA-N
XLogP7.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.48
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate with MolForge

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Related Compounds

2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid
CID 66610758
methyl 4-[5-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 56929617
ethyl (E)-3-[4-[(2,4-dichlorobenzoyl)amino]phenyl]prop-2-enoate
CID 27054357
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
methyl 4-[5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 66610522
ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]acetate
CID 66610149
tert-butyl 2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate
CID 66614080
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
ethyl 5-[(2,4-dichlorobenzoyl)amino]-4-[(3,4-dimethylphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 126118940
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
ethyl 5-(cyclohexylcarbamoyl)-2-[(2,4-dichlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4030518
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate (CID 66609665) is ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate is CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)s2)CC1.
What is the InChIKey of ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate?
The InChIKey is XSVPEGYJBMTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3S/c1-2-33-24(31)13-16-3-5-18(6-4-16)26-29-15-23(34-26)17-7-10-20(11-8-17)30-25(32)21-12-9-19(27)14-22(21)28/h7-12,14-16,18H,2-6,13H2,1H3,(H,30,32).
What are the key properties of ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate?
ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate has a molecular weight of 517.48 g/mol, XLogP of 7.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate is sourced from PubChem (CID 66609665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).