N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide

C18H16FNO2S — CID 46883910

IUPACN-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1
InChIKeyWSABUPLEAQNLTA-OAHLLOKOSA-N
MW329.40 g/mol
LogP3.37
Rot. Bonds5

About N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide

N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 46883910) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID46883910
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1
InChIKeyWSABUPLEAQNLTA-OAHLLOKOSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide (CID 46883910) is N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide is O=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is WSABUPLEAQNLTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46883910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).