1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide

C20H18FNO3S — CID 126850776

IUPAC1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H18FNO3S/c21-16-5-3-14(4-6-16)19(8-9-19)18(23)22-13-20(24,15-7-10-25-12-15)17-2-1-11-26-17/h1-7,10-12,24H,8-9,13H2,(H,22,23)
InChIKeyKSWHUEZAXCWWCY-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide (PubChem CID 126850776) has the molecular formula C20H18FNO3S and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
PubChem CID126850776
Molecular FormulaC20H18FNO3S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H18FNO3S/c21-16-5-3-14(4-6-16)19(8-9-19)18(23)22-13-20(24,15-7-10-25-12-15)17-2-1-11-26-17/h1-7,10-12,24H,8-9,13H2,(H,22,23)
InChIKeyKSWHUEZAXCWWCY-UHFFFAOYSA-N
XLogP3.56
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide (CID 126850776) is 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide is O=C(NCC(O)(c1ccoc1)c1cccs1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is KSWHUEZAXCWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S/c21-16-5-3-14(4-6-16)19(8-9-19)18(23)22-13-20(24,15-7-10-25-12-15)17-2-1-11-26-17/h1-7,10-12,24H,8-9,13H2,(H,22,23).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126850776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).