N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide

C18H22N2O2S — CID 857635

IUPACN-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-4-20(5-2)12-16(21)19-18-15(11-13(3)23-18)17(22)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,19,21)
InChIKeyBXCUQDDUIKLHTQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.57
Rot. Bonds7

About N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide

N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide (PubChem CID 857635) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide
PubChem CID857635
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-4-20(5-2)12-16(21)19-18-15(11-13(3)23-18)17(22)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,19,21)
InChIKeyBXCUQDDUIKLHTQ-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide?
The IUPAC name of N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide (CID 857635) is N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide?
The InChIKey is BXCUQDDUIKLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-20(5-2)12-16(21)19-18-15(11-13(3)23-18)17(22)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,19,21).
What are the key properties of N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide?
N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-5-methylthiophen-2-yl)-2-(diethylamino)acetamide is sourced from PubChem (CID 857635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).