methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

C14H14ClNO4S — CID 34482245

IUPACmethyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(Cl)s2)oc1C
InChIInChI=1S/C14H14ClNO4S/c1-8-10(14(18)19-3)6-9(20-8)7-16(2)13(17)11-4-5-12(15)21-11/h4-6H,7H2,1-3H3
InChIKeyCVSRPYVUIQLFKZ-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.36
Rot. Bonds4

About methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 34482245) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID34482245
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC Namemethyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(Cl)s2)oc1C
InChIInChI=1S/C14H14ClNO4S/c1-8-10(14(18)19-3)6-9(20-8)7-16(2)13(17)11-4-5-12(15)21-11/h4-6H,7H2,1-3H3
InChIKeyCVSRPYVUIQLFKZ-UHFFFAOYSA-N
XLogP3.36
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 34482245) is methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2ccc(Cl)s2)oc1C.
What is the InChIKey of methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CVSRPYVUIQLFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-8-10(14(18)19-3)6-9(20-8)7-16(2)13(17)11-4-5-12(15)21-11/h4-6H,7H2,1-3H3.
What are the key properties of methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 327.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5-chlorothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 34482245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).