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

C12H17ClN2OS — CID 81251948

IUPAC2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H17ClN2OS/c1-7(2)15-12(16)6-14-9-3-4-10-8(9)5-11(13)17-10/h5,7,9,14H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyRLNHJXMJKRFTPY-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.50
Rot. Bonds4

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

2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 81251948) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID81251948
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H17ClN2OS/c1-7(2)15-12(16)6-14-9-3-4-10-8(9)5-11(13)17-10/h5,7,9,14H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyRLNHJXMJKRFTPY-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide (CID 81251948) is 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is RLNHJXMJKRFTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-7(2)15-12(16)6-14-9-3-4-10-8(9)5-11(13)17-10/h5,7,9,14H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide?
2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 272.80 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 81251948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).