methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate

C19H13Cl2NO4S — CID 2808798

IUPACmethyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO4S/c1-25-19(24)17-16(8-9-27-17)26-15-7-6-13(21)10-14(15)22-18(23)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23)
InChIKeyZHKFBAXBFUQSDO-UHFFFAOYSA-N
MW422.29 g/mol
LogP5.89
Rot. Bonds5

About methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate

methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate (PubChem CID 2808798) has the molecular formula C19H13Cl2NO4S and a molecular weight of 422.29 g/mol. Its IUPAC name is methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate
PubChem CID2808798
Molecular FormulaC19H13Cl2NO4S
Molecular Weight422.29 g/mol
Exact Mass420.99
IUPAC Namemethyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO4S/c1-25-19(24)17-16(8-9-27-17)26-15-7-6-13(21)10-14(15)22-18(23)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23)
InChIKeyZHKFBAXBFUQSDO-UHFFFAOYSA-N
XLogP5.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.29
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(3-methylthiophene-2-carbonyl)amino]benzoate
CID 4850828
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 103714210
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
dimethyl (E)-2-[2-(2-methoxycarbonylthiophen-3-yl)oxy-5-(trifluoromethyl)anilino]but-2-enedioate
CID 168567833
dimethyl (E)-2-[5-fluoro-2-(2-methoxycarbonylthiophen-3-yl)oxyanilino]but-2-enedioate
CID 168570329
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate (CID 2808798) is methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate is COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate?
The InChIKey is ZHKFBAXBFUQSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4S/c1-25-19(24)17-16(8-9-27-17)26-15-7-6-13(21)10-14(15)22-18(23)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23).
What are the key properties of methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate?
methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate has a molecular weight of 422.29 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-chloro-2-[(4-chlorobenzoyl)amino]phenoxy]thiophene-2-carboxylate is sourced from PubChem (CID 2808798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).