N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide

C14H18N2OS — CID 166058593

IUPACN-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)sc1-n1c(C)ccc1C
InChIInChI=1S/C14H18N2OS/c1-9-5-6-10(2)16(9)14-13(7-11(3)18-14)8-15-12(4)17/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyXSEWEURKXOREQS-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.10
Rot. Bonds3

About N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide

N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide (PubChem CID 166058593) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide
PubChem CID166058593
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)sc1-n1c(C)ccc1C
InChIInChI=1S/C14H18N2OS/c1-9-5-6-10(2)16(9)14-13(7-11(3)18-14)8-15-12(4)17/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyXSEWEURKXOREQS-UHFFFAOYSA-N
XLogP3.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide (CID 166058593) is N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide is CC(=O)NCc1cc(C)sc1-n1c(C)ccc1C.
What is the InChIKey of N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide?
The InChIKey is XSEWEURKXOREQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-6-10(2)16(9)14-13(7-11(3)18-14)8-15-12(4)17/h5-7H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide?
N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide has a molecular weight of 262.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide is sourced from PubChem (CID 166058593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).