2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide

C21H26N2O3S — CID 1442549

IUPAC2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2
InChIInChI=1S/C21H26N2O3S/c1-4-23(5-2)13-18(24)22-21-19(15-10-8-12-17(15)27-21)20(25)14-9-6-7-11-16(14)26-3/h6-7,9,11H,4-5,8,10,12-13H2,1-3H3,(H,22,24)
InChIKeySJULWNAGWWLPFW-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.76
Rot. Bonds8

About 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide

2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide (PubChem CID 1442549) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide
PubChem CID1442549
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2
InChIInChI=1S/C21H26N2O3S/c1-4-23(5-2)13-18(24)22-21-19(15-10-8-12-17(15)27-21)20(25)14-9-6-7-11-16(14)26-3/h6-7,9,11H,4-5,8,10,12-13H2,1-3H3,(H,22,24)
InChIKeySJULWNAGWWLPFW-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide (CID 1442549) is 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide is CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2.
What is the InChIKey of 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide?
The InChIKey is SJULWNAGWWLPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-23(5-2)13-18(24)22-21-19(15-10-8-12-17(15)27-21)20(25)14-9-6-7-11-16(14)26-3/h6-7,9,11H,4-5,8,10,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide?
2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide is sourced from PubChem (CID 1442549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).