N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide

C16H21N3O3S — CID 75526250

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cc2c(s1)CCC2)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C16H21N3O3S/c1-9(2)19(8-11-6-10-4-3-5-13(10)23-11)14(20)7-12-15(21)18-16(22)17-12/h6,9,12H,3-5,7-8H2,1-2H3,(H2,17,18,21,22)
InChIKeyAWBOIECEKKXREE-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.57
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide (PubChem CID 75526250) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide
PubChem CID75526250
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cc2c(s1)CCC2)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C16H21N3O3S/c1-9(2)19(8-11-6-10-4-3-5-13(10)23-11)14(20)7-12-15(21)18-16(22)17-12/h6,9,12H,3-5,7-8H2,1-2H3,(H2,17,18,21,22)
InChIKeyAWBOIECEKKXREE-UHFFFAOYSA-N
XLogP1.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide (CID 75526250) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1cc2c(s1)CCC2)C(=O)CC1NC(=O)NC1=O.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide?
The InChIKey is AWBOIECEKKXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-9(2)19(8-11-6-10-4-3-5-13(10)23-11)14(20)7-12-15(21)18-16(22)17-12/h6,9,12H,3-5,7-8H2,1-2H3,(H2,17,18,21,22).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide has a molecular weight of 335.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2,5-dioxoimidazolidin-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 75526250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).