2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide

C20H26N2O2S — CID 1442554

IUPAC2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2S/c1-6-22(7-2)12-17(23)21-20-18(14(4)15(5)25-20)19(24)16-10-8-13(3)9-11-16/h8-11H,6-7,12H2,1-5H3,(H,21,23)
InChIKeyKWWVIWATTSVDJX-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.18
Rot. Bonds7

About 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide

2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide (PubChem CID 1442554) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
PubChem CID1442554
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2S/c1-6-22(7-2)12-17(23)21-20-18(14(4)15(5)25-20)19(24)16-10-8-13(3)9-11-16/h8-11H,6-7,12H2,1-5H3,(H,21,23)
InChIKeyKWWVIWATTSVDJX-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide (CID 1442554) is 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide is CCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide?
The InChIKey is KWWVIWATTSVDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-6-22(7-2)12-17(23)21-20-18(14(4)15(5)25-20)19(24)16-10-8-13(3)9-11-16/h8-11H,6-7,12H2,1-5H3,(H,21,23).
What are the key properties of 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide?
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 1442554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).