N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C22H22N2O2S2 — CID 3228405

IUPACN-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2)NCc1cccs1
InChIInChI=1S/C22H22N2O2S2/c25-21(23-13-18-9-5-11-27-18)15-24(14-16-6-2-1-3-7-16)22(26)20-12-17-8-4-10-19(17)28-20/h1-3,5-7,9,11-12H,4,8,10,13-15H2,(H,23,25)
InChIKeyWRRUBTKAPANKGA-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.26
Rot. Bonds7

About N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 3228405) has the molecular formula C22H22N2O2S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID3228405
Molecular FormulaC22H22N2O2S2
Molecular Weight410.56 g/mol
Exact Mass410.11
IUPAC NameN-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2)NCc1cccs1
InChIInChI=1S/C22H22N2O2S2/c25-21(23-13-18-9-5-11-27-18)15-24(14-16-6-2-1-3-7-16)22(26)20-12-17-8-4-10-19(17)28-20/h1-3,5-7,9,11-12H,4,8,10,13-15H2,(H,23,25)
InChIKeyWRRUBTKAPANKGA-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 3228405) is N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(CN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2)NCc1cccs1.
What is the InChIKey of N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is WRRUBTKAPANKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S2/c25-21(23-13-18-9-5-11-27-18)15-24(14-16-6-2-1-3-7-16)22(26)20-12-17-8-4-10-19(17)28-20/h1-3,5-7,9,11-12H,4,8,10,13-15H2,(H,23,25).
What are the key properties of N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 3228405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).