N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide

C12H10ClNOS2 — CID 2819664

IUPACN-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNOS2/c13-9-3-5-10(6-4-9)14-11(15)8-17-12-2-1-7-16-12/h1-7H,8H2,(H,14,15)
InChIKeyWFQIXRXGCZXHDA-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.13
Rot. Bonds4

About N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide

N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 2819664) has the molecular formula C12H10ClNOS2 and a molecular weight of 283.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID2819664
Molecular FormulaC12H10ClNOS2
Molecular Weight283.81 g/mol
Exact Mass282.99
IUPAC NameN-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNOS2/c13-9-3-5-10(6-4-9)14-11(15)8-17-12-2-1-7-16-12/h1-7H,8H2,(H,14,15)
InChIKeyWFQIXRXGCZXHDA-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide (CID 2819664) is N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is WFQIXRXGCZXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS2/c13-9-3-5-10(6-4-9)14-11(15)8-17-12-2-1-7-16-12/h1-7H,8H2,(H,14,15).
What are the key properties of N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide?
N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 283.81 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 2819664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).