N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C20H18FNO2S — CID 91630852

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H18FNO2S/c21-14-7-5-13(6-8-14)20(9-10-20)19(24)22-11-17(23)16-12-25-18-4-2-1-3-15(16)18/h1-8,12,17,23H,9-11H2,(H,22,24)
InChIKeyWQGIMTBLGBOLML-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.92
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 91630852) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID91630852
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H18FNO2S/c21-14-7-5-13(6-8-14)20(9-10-20)19(24)22-11-17(23)16-12-25-18-4-2-1-3-15(16)18/h1-8,12,17,23H,9-11H2,(H,22,24)
InChIKeyWQGIMTBLGBOLML-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 91630852) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCC(O)c1csc2ccccc12)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is WQGIMTBLGBOLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c21-14-7-5-13(6-8-14)20(9-10-20)19(24)22-11-17(23)16-12-25-18-4-2-1-3-15(16)18/h1-8,12,17,23H,9-11H2,(H,22,24).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91630852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).