5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide

C17H15FN2OS — CID 22518256

IUPAC5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1cccs1
InChIInChI=1S/C17H15FN2OS/c1-11-15(17(21)19-10-14-3-2-8-22-14)9-16(20-11)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyAEEYEAARTBFGRR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.12
Rot. Bonds4

About 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide

5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide (PubChem CID 22518256) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide
PubChem CID22518256
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1cccs1
InChIInChI=1S/C17H15FN2OS/c1-11-15(17(21)19-10-14-3-2-8-22-14)9-16(20-11)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyAEEYEAARTBFGRR-UHFFFAOYSA-N
XLogP4.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide (CID 22518256) is 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1cccs1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is AEEYEAARTBFGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-11-15(17(21)19-10-14-3-2-8-22-14)9-16(20-11)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide?
5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 22518256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).