5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide

C18H22FNO2S — CID 46984459

IUPAC5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(Cc2ccc(F)cc2)C(CC)CO)s1
InChIInChI=1S/C18H22FNO2S/c1-3-15(12-21)20(11-13-5-7-14(19)8-6-13)18(22)17-10-9-16(4-2)23-17/h5-10,15,21H,3-4,11-12H2,1-2H3
InChIKeyLTQDPGZNEOUFIR-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.86
Rot. Bonds7

About 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide

5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide (PubChem CID 46984459) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide
PubChem CID46984459
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC Name5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(Cc2ccc(F)cc2)C(CC)CO)s1
InChIInChI=1S/C18H22FNO2S/c1-3-15(12-21)20(11-13-5-7-14(19)8-6-13)18(22)17-10-9-16(4-2)23-17/h5-10,15,21H,3-4,11-12H2,1-2H3
InChIKeyLTQDPGZNEOUFIR-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide (CID 46984459) is 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide is CCc1ccc(C(=O)N(Cc2ccc(F)cc2)C(CC)CO)s1.
What is the InChIKey of 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide?
The InChIKey is LTQDPGZNEOUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-3-15(12-21)20(11-13-5-7-14(19)8-6-13)18(22)17-10-9-16(4-2)23-17/h5-10,15,21H,3-4,11-12H2,1-2H3.
What are the key properties of 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide?
5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 46984459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).