N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide

C16H13NOS2 — CID 7254713

IUPACN-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc2sccc2c1
InChIInChI=1S/C16H13NOS2/c18-16(11-20-14-4-2-1-3-5-14)17-13-6-7-15-12(10-13)8-9-19-15/h1-10H,11H2,(H,17,18)
InChIKeyPARHYIRRSLXXAP-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.63
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide

N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide (PubChem CID 7254713) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide
PubChem CID7254713
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC NameN-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc2sccc2c1
InChIInChI=1S/C16H13NOS2/c18-16(11-20-14-4-2-1-3-5-14)17-13-6-7-15-12(10-13)8-9-19-15/h1-10H,11H2,(H,17,18)
InChIKeyPARHYIRRSLXXAP-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide (CID 7254713) is N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide?
The InChIKey is PARHYIRRSLXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c18-16(11-20-14-4-2-1-3-5-14)17-13-6-7-15-12(10-13)8-9-19-15/h1-10H,11H2,(H,17,18).
What are the key properties of N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide?
N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide has a molecular weight of 299.42 g/mol, XLogP of 4.63, 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-phenylsulfanylacetamide is sourced from PubChem (CID 7254713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).