N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide

C15H17NOS2 — CID 2819788

IUPACN-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C15H17NOS2/c1-11(2)12-5-7-13(8-6-12)16-14(17)10-19-15-4-3-9-18-15/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyJEAMWPCBKRZJFX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.60
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide

N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 2819788) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID2819788
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C15H17NOS2/c1-11(2)12-5-7-13(8-6-12)16-14(17)10-19-15-4-3-9-18-15/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyJEAMWPCBKRZJFX-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide (CID 2819788) is N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide is CC(C)c1ccc(NC(=O)CSc2cccs2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is JEAMWPCBKRZJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-11(2)12-5-7-13(8-6-12)16-14(17)10-19-15-4-3-9-18-15/h3-9,11H,10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 291.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 2819788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).