N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide

C18H20ClFN2O3S — CID 35137930

IUPACN-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(CCN2CCOCC2)o1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c19-15-11-13(1-3-16(15)20)21-17(23)12-26-18-4-2-14(25-18)5-6-22-7-9-24-10-8-22/h1-4,11H,5-10,12H2,(H,21,23)
InChIKeyFXXWFKPBNNQBKR-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.68
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide (PubChem CID 35137930) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide
PubChem CID35137930
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(CCN2CCOCC2)o1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c19-15-11-13(1-3-16(15)20)21-17(23)12-26-18-4-2-14(25-18)5-6-22-7-9-24-10-8-22/h1-4,11H,5-10,12H2,(H,21,23)
InChIKeyFXXWFKPBNNQBKR-UHFFFAOYSA-N
XLogP3.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide (CID 35137930) is N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide is O=C(CSc1ccc(CCN2CCOCC2)o1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide?
The InChIKey is FXXWFKPBNNQBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c19-15-11-13(1-3-16(15)20)21-17(23)12-26-18-4-2-14(25-18)5-6-22-7-9-24-10-8-22/h1-4,11H,5-10,12H2,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide has a molecular weight of 398.89 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[5-(2-morpholin-4-ylethyl)furan-2-yl]sulfanylacetamide is sourced from PubChem (CID 35137930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).