2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide

C12H18N2O2S — CID 60681026

IUPAC2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1cc(C)sc1C
InChIInChI=1S/C12H18N2O2S/c1-8-5-10(9(2)17-8)11(15)6-14(4)7-12(16)13-3/h5H,6-7H2,1-4H3,(H,13,16)
InChIKeyBHSGUUIQIWXDRW-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.23
Rot. Bonds5

About 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 60681026) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID60681026
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1cc(C)sc1C
InChIInChI=1S/C12H18N2O2S/c1-8-5-10(9(2)17-8)11(15)6-14(4)7-12(16)13-3/h5H,6-7H2,1-4H3,(H,13,16)
InChIKeyBHSGUUIQIWXDRW-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 60681026) is 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)c1cc(C)sc1C.
What is the InChIKey of 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is BHSGUUIQIWXDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-5-10(9(2)17-8)11(15)6-14(4)7-12(16)13-3/h5H,6-7H2,1-4H3,(H,13,16).
What are the key properties of 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 60681026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).