N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

C17H17FN2OS — CID 53191400

IUPACN-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)n1cc2cc(C(=O)NCc3ccccc3F)sc2c1
InChIInChI=1S/C17H17FN2OS/c1-11(2)20-9-13-7-15(22-16(13)10-20)17(21)19-8-12-5-3-4-6-14(12)18/h3-7,9-11H,8H2,1-2H3,(H,19,21)
InChIKeyRXGSMVGBVSKISS-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.35
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191400) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191400
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC NameN-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)n1cc2cc(C(=O)NCc3ccccc3F)sc2c1
InChIInChI=1S/C17H17FN2OS/c1-11(2)20-9-13-7-15(22-16(13)10-20)17(21)19-8-12-5-3-4-6-14(12)18/h3-7,9-11H,8H2,1-2H3,(H,19,21)
InChIKeyRXGSMVGBVSKISS-UHFFFAOYSA-N
XLogP4.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (CID 53191400) is N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is CC(C)n1cc2cc(C(=O)NCc3ccccc3F)sc2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is RXGSMVGBVSKISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-11(2)20-9-13-7-15(22-16(13)10-20)17(21)19-8-12-5-3-4-6-14(12)18/h3-7,9-11H,8H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).