5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide

C23H23FN2O4S — CID 175961150

IUPAC5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3F)cc2c1C(=O)N[C@@H]1CCN(CCO)C1=O
InChIInChI=1S/C23H23FN2O4S/c1-14-21(22(28)25-19-8-9-26(10-11-27)23(19)29)17-12-16(6-7-20(17)31-14)30-13-15-4-2-3-5-18(15)24/h2-7,12,19,27H,8-11,13H2,1H3,(H,25,28)/t19-/m1/s1
InChIKeySNKGDAKDFJNPHD-LJQANCHMSA-N
MW442.51 g/mol
LogP3.25
Rot. Bonds7

About 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide

5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide (PubChem CID 175961150) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide
PubChem CID175961150
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3F)cc2c1C(=O)N[C@@H]1CCN(CCO)C1=O
InChIInChI=1S/C23H23FN2O4S/c1-14-21(22(28)25-19-8-9-26(10-11-27)23(19)29)17-12-16(6-7-20(17)31-14)30-13-15-4-2-3-5-18(15)24/h2-7,12,19,27H,8-11,13H2,1H3,(H,25,28)/t19-/m1/s1
InChIKeySNKGDAKDFJNPHD-LJQANCHMSA-N
XLogP3.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide (CID 175961150) is 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3ccccc3F)cc2c1C(=O)N[C@@H]1CCN(CCO)C1=O.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is SNKGDAKDFJNPHD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-14-21(22(28)25-19-8-9-26(10-11-27)23(19)29)17-12-16(6-7-20(17)31-14)30-13-15-4-2-3-5-18(15)24/h2-7,12,19,27H,8-11,13H2,1H3,(H,25,28)/t19-/m1/s1.
What are the key properties of 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide?
5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 175961150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).