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

C12H17ClN2O2S — CID 112552936

IUPAC2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H17ClN2O2S/c1-17-5-4-14-12(16)7-15-9-2-3-10-8(9)6-11(13)18-10/h6,9,15H,2-5,7H2,1H3,(H,14,16)
InChIKeyPEBOIZLCYFMORA-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.74
Rot. Bonds6

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

2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 112552936) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID112552936
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H17ClN2O2S/c1-17-5-4-14-12(16)7-15-9-2-3-10-8(9)6-11(13)18-10/h6,9,15H,2-5,7H2,1H3,(H,14,16)
InChIKeyPEBOIZLCYFMORA-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-methylpropanamide
CID 81252804
2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-methylacetamide
CID 82686960
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81251528
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115708014
N-(2-methoxyethyl)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115708011
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252394
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 113242883
2-chloro-N-(2-methylprop-2-enyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114615539
2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251743
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359159
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82686064

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 112552936) is 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is PEBOIZLCYFMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-17-5-4-14-12(16)7-15-9-2-3-10-8(9)6-11(13)18-10/h6,9,15H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 288.80 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112552936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).