5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C19H21FN2OS — CID 53171198

IUPAC5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C19H21FN2OS/c20-15-5-3-4-13(8-15)10-21-19(23)17-9-14-11-22(12-18(14)24-17)16-6-1-2-7-16/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,21,23)
InChIKeyMTBMVRLOFJOEEY-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.08
Rot. Bonds4

About 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171198) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171198
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C19H21FN2OS/c20-15-5-3-4-13(8-15)10-21-19(23)17-9-14-11-22(12-18(14)24-17)16-6-1-2-7-16/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,21,23)
InChIKeyMTBMVRLOFJOEEY-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171198) is 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is O=C(NCc1cccc(F)c1)c1cc2c(s1)CN(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is MTBMVRLOFJOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-15-5-3-4-13(8-15)10-21-19(23)17-9-14-11-22(12-18(14)24-17)16-6-1-2-7-16/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,21,23).
What are the key properties of 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[(3-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).