methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate

C20H17ClN2O4S — CID 55445792

IUPACmethyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1
InChIInChI=1S/C20H17ClN2O4S/c1-12-22-15(11-28-12)10-27-16-5-3-4-13(8-16)19(24)23-18-9-14(20(25)26-2)6-7-17(18)21/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyUOWDFAMCLDXALR-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.72
Rot. Bonds6

About methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate

methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate (PubChem CID 55445792) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
PubChem CID55445792
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Namemethyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1
InChIInChI=1S/C20H17ClN2O4S/c1-12-22-15(11-28-12)10-27-16-5-3-4-13(8-16)19(24)23-18-9-14(20(25)26-2)6-7-17(18)21/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyUOWDFAMCLDXALR-UHFFFAOYSA-N
XLogP4.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
CID 51262177
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1H-pyrazol-5-yl)benzamide
CID 47835663
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16571914
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43072092
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38323896
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27286537
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51265482
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38403977
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate (CID 55445792) is methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1.
What is the InChIKey of methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate?
The InChIKey is UOWDFAMCLDXALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-12-22-15(11-28-12)10-27-16-5-3-4-13(8-16)19(24)23-18-9-14(20(25)26-2)6-7-17(18)21/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate?
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate has a molecular weight of 416.89 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate is sourced from PubChem (CID 55445792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).