methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate

C19H14Cl2N2O4S — CID 2808785

IUPACmethyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4S/c1-26-18(24)17-16(8-9-28-17)27-15-7-4-12(21)10-14(15)23-19(25)22-13-5-2-11(20)3-6-13/h2-10H,1H3,(H2,22,23,25)
InChIKeyFLKWFHDHRKCYHC-UHFFFAOYSA-N
MW437.30 g/mol
LogP6.28
Rot. Bonds5

About methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate

methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate (PubChem CID 2808785) has the molecular formula C19H14Cl2N2O4S and a molecular weight of 437.30 g/mol. Its IUPAC name is methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate
PubChem CID2808785
Molecular FormulaC19H14Cl2N2O4S
Molecular Weight437.30 g/mol
Exact Mass436.01
IUPAC Namemethyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4S/c1-26-18(24)17-16(8-9-28-17)27-15-7-4-12(21)10-14(15)23-19(25)22-13-5-2-11(20)3-6-13/h2-10H,1H3,(H2,22,23,25)
InChIKeyFLKWFHDHRKCYHC-UHFFFAOYSA-N
XLogP6.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.30
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate (CID 2808785) is methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate is COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate?
The InChIKey is FLKWFHDHRKCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4S/c1-26-18(24)17-16(8-9-28-17)27-15-7-4-12(21)10-14(15)23-19(25)22-13-5-2-11(20)3-6-13/h2-10H,1H3,(H2,22,23,25).
What are the key properties of methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate?
methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate has a molecular weight of 437.30 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-chloro-2-[(4-chlorophenyl)carbamoylamino]phenoxy]thiophene-2-carboxylate is sourced from PubChem (CID 2808785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).