N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide

C19H18FNO2S2 — CID 86263965

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCC(O)(CNC(=O)CSc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18FNO2S2/c1-19(23,17-10-13-4-2-3-5-16(13)25-17)12-21-18(22)11-24-15-8-6-14(20)7-9-15/h2-10,23H,11-12H2,1H3,(H,21,22)
InChIKeyRNWNIYFCXCPCRP-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 86263965) has the molecular formula C19H18FNO2S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID86263965
Molecular FormulaC19H18FNO2S2
Molecular Weight375.49 g/mol
Exact Mass375.08
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCC(O)(CNC(=O)CSc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18FNO2S2/c1-19(23,17-10-13-4-2-3-5-16(13)25-17)12-21-18(22)11-24-15-8-6-14(20)7-9-15/h2-10,23H,11-12H2,1H3,(H,21,22)
InChIKeyRNWNIYFCXCPCRP-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 86263965) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide is CC(O)(CNC(=O)CSc1ccc(F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is RNWNIYFCXCPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S2/c1-19(23,17-10-13-4-2-3-5-16(13)25-17)12-21-18(22)11-24-15-8-6-14(20)7-9-15/h2-10,23H,11-12H2,1H3,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 375.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 86263965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).