N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

C16H12FNOS2 — CID 7254810

IUPACN-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2sccc2c1
InChIInChI=1S/C16H12FNOS2/c17-12-1-4-14(5-2-12)21-10-16(19)18-13-3-6-15-11(9-13)7-8-20-15/h1-9H,10H2,(H,18,19)
InChIKeyVVYFWTUHUHJVLX-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.77
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 7254810) has the molecular formula C16H12FNOS2 and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID7254810
Molecular FormulaC16H12FNOS2
Molecular Weight317.41 g/mol
Exact Mass317.03
IUPAC NameN-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2sccc2c1
InChIInChI=1S/C16H12FNOS2/c17-12-1-4-14(5-2-12)21-10-16(19)18-13-3-6-15-11(9-13)7-8-20-15/h1-9H,10H2,(H,18,19)
InChIKeyVVYFWTUHUHJVLX-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Benzothiophen-3-yl)acetamide
CID 746770
N-(1-benzothiophen-5-yl)acetamide
CID 3290886
N-(1-benzothiophen-3-yl)-N'-(2,4-difluorophenyl)urea
CID 2816287
N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
CID 7267028
Acetamide, N-3-dibenzothienyl-
CID 116464
2-Acetamidodibenzothiophene
CID 108627
N-2-naphthyl-2-(2-thienylthio)acetamide
CID 886920
N-Dibenzothiophen-2-yl-2-[(E)-hydroxyimino]-acetamide
CID 6883967
N-(1-benzothiophen-3-yl)-N'-(4-fluorophenyl)urea
CID 2816297
N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide
CID 7254713
N-1-naphthyl-2-(2-thienylthio)acetamide
CID 895734
2-(1-benzothiophen-3-yl)-N-(4-fluorophenyl)acetamide
CID 2732602

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 7254810) is N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is VVYFWTUHUHJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS2/c17-12-1-4-14(5-2-12)21-10-16(19)18-13-3-6-15-11(9-13)7-8-20-15/h1-9H,10H2,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 317.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7254810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).