methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate

C14H11ClFNO3S — CID 59140505

IUPACmethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate
SMILESCOC(=O)c1cc(F)c(C)cc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFNO3S/c1-7-5-10(8(6-9(7)16)14(19)20-2)17-13(18)11-3-4-12(15)21-11/h3-6H,1-2H3,(H,17,18)
InChIKeyHKPJCEYBCZBRDC-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.89
Rot. Bonds3

About methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate

methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate (PubChem CID 59140505) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate
PubChem CID59140505
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Namemethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate
SMILESCOC(=O)c1cc(F)c(C)cc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFNO3S/c1-7-5-10(8(6-9(7)16)14(19)20-2)17-13(18)11-3-4-12(15)21-11/h3-6H,1-2H3,(H,17,18)
InChIKeyHKPJCEYBCZBRDC-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate?
The IUPAC name of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate (CID 59140505) is methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate.
What is the SMILES notation for methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate?
The canonical SMILES for methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate is COC(=O)c1cc(F)c(C)cc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate?
The InChIKey is HKPJCEYBCZBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c1-7-5-10(8(6-9(7)16)14(19)20-2)17-13(18)11-3-4-12(15)21-11/h3-6H,1-2H3,(H,17,18).
What are the key properties of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate?
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate has a molecular weight of 327.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate is sourced from PubChem (CID 59140505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).