N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide

C13H14N2OS — CID 3239705

IUPACN-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide
SMILESCSc1cccc(NC(=O)Cn2cccc2)c1
InChIInChI=1S/C13H14N2OS/c1-17-12-6-4-5-11(9-12)14-13(16)10-15-7-2-3-8-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyUYWSLBAMEWEPQI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.85
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide

N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3239705) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3239705
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide
SMILESCSc1cccc(NC(=O)Cn2cccc2)c1
InChIInChI=1S/C13H14N2OS/c1-17-12-6-4-5-11(9-12)14-13(16)10-15-7-2-3-8-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyUYWSLBAMEWEPQI-UHFFFAOYSA-N
XLogP2.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide (CID 3239705) is N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide is CSc1cccc(NC(=O)Cn2cccc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is UYWSLBAMEWEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-17-12-6-4-5-11(9-12)14-13(16)10-15-7-2-3-8-15/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide?
N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 246.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3239705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).