1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one

C16H23N3O2S — CID 47549234

IUPAC1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one
SMILESCC(C)N(CC(=O)N1CCNC1=O)Cc1cc2c(s1)CCC2
InChIInChI=1S/C16H23N3O2S/c1-11(2)18(10-15(20)19-7-6-17-16(19)21)9-13-8-12-4-3-5-14(12)22-13/h8,11H,3-7,9-10H2,1-2H3,(H,17,21)
InChIKeyBUTZOTPRUIZVQL-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one

1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one (PubChem CID 47549234) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one
PubChem CID47549234
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one
SMILESCC(C)N(CC(=O)N1CCNC1=O)Cc1cc2c(s1)CCC2
InChIInChI=1S/C16H23N3O2S/c1-11(2)18(10-15(20)19-7-6-17-16(19)21)9-13-8-12-4-3-5-14(12)22-13/h8,11H,3-7,9-10H2,1-2H3,(H,17,21)
InChIKeyBUTZOTPRUIZVQL-UHFFFAOYSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
N~2~-{[cyclopentyl(thien-2-ylmethyl)amino]carbonothioyl}-N~1~-(1-phenylethyl)glycinamide
CID 4048421
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 4522322
2-({Cyclopentyl[(thiophen-2-YL)methyl]carbamothioyl}amino)-N-(4-phenylbutan-2-YL)acetamide
CID 16194313
N-(benzylcarbamoyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 17516982
N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 42893102
5-(4,5-Dimethylthiophen-2-yl)imidazolidine-2,4-dione
CID 57399014
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3511301
1-[2-(2-Thiophen-2-ylpyrrolidin-1-yl)propanoyl]imidazolidin-2-one
CID 16295067
1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134791824
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 45812489
1-[2-[(3-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
CID 47073504

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one (CID 47549234) is 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one is CC(C)N(CC(=O)N1CCNC1=O)Cc1cc2c(s1)CCC2.
What is the InChIKey of 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one?
The InChIKey is BUTZOTPRUIZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(2)18(10-15(20)19-7-6-17-16(19)21)9-13-8-12-4-3-5-14(12)22-13/h8,11H,3-7,9-10H2,1-2H3,(H,17,21).
What are the key properties of 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one?
1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one has a molecular weight of 321.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl(propan-2-yl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 47549234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).