methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate

C18H20FNO3S — CID 55670588

IUPACmethyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(-c2ccccc2F)s1)C(=O)OC
InChIInChI=1S/C18H20FNO3S/c1-4-11-18(2,17(22)23-3)20-16(21)15-10-9-14(24-15)12-7-5-6-8-13(12)19/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyHWSTXYKSJWFFQH-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.02
Rot. Bonds6

About methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate

methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate (PubChem CID 55670588) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate
PubChem CID55670588
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Namemethyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(-c2ccccc2F)s1)C(=O)OC
InChIInChI=1S/C18H20FNO3S/c1-4-11-18(2,17(22)23-3)20-16(21)15-10-9-14(24-15)12-7-5-6-8-13(12)19/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyHWSTXYKSJWFFQH-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate (CID 55670588) is methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc(-c2ccccc2F)s1)C(=O)OC.
What is the InChIKey of methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate?
The InChIKey is HWSTXYKSJWFFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-4-11-18(2,17(22)23-3)20-16(21)15-10-9-14(24-15)12-7-5-6-8-13(12)19/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate?
methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate has a molecular weight of 349.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]-2-methylpentanoate is sourced from PubChem (CID 55670588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).