N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide

C12H17NO2S — CID 123403841

IUPACN-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide
SMILESCCC(C)C(=O)c1c(C)csc1NC(C)=O
InChIInChI=1S/C12H17NO2S/c1-5-7(2)11(15)10-8(3)6-16-12(10)13-9(4)14/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyQTDLCOSVRZDCSK-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.24
Rot. Bonds4

About N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide

N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide (PubChem CID 123403841) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide
PubChem CID123403841
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide
SMILESCCC(C)C(=O)c1c(C)csc1NC(C)=O
InChIInChI=1S/C12H17NO2S/c1-5-7(2)11(15)10-8(3)6-16-12(10)13-9(4)14/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyQTDLCOSVRZDCSK-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide (CID 123403841) is N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide is CCC(C)C(=O)c1c(C)csc1NC(C)=O.
What is the InChIKey of N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide?
The InChIKey is QTDLCOSVRZDCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-5-7(2)11(15)10-8(3)6-16-12(10)13-9(4)14/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide?
N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide has a molecular weight of 239.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-methylbutanoyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 123403841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).