N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide

C19H19FN2O3S — CID 54698185

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2cccs2)C1
InChIInChI=1S/C19H19FN2O3S/c1-21(11-13-4-6-14(20)7-5-13)18(24)16-12-22(19(25)17(16)23)9-8-15-3-2-10-26-15/h2-7,10,23H,8-9,11-12H2,1H3
InChIKeyGRYUFNQHSWUYDO-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.74
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide (PubChem CID 54698185) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide
PubChem CID54698185
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2cccs2)C1
InChIInChI=1S/C19H19FN2O3S/c1-21(11-13-4-6-14(20)7-5-13)18(24)16-12-22(19(25)17(16)23)9-8-15-3-2-10-26-15/h2-7,10,23H,8-9,11-12H2,1H3
InChIKeyGRYUFNQHSWUYDO-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide (CID 54698185) is N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2cccs2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is GRYUFNQHSWUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-21(11-13-4-6-14(20)7-5-13)18(24)16-12-22(19(25)17(16)23)9-8-15-3-2-10-26-15/h2-7,10,23H,8-9,11-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54698185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).