(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone

C14H12ClNOS — CID 859628

IUPAC(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2
InChIInChI=1S/C14H12ClNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2
InChIKeyZXCMGFVABPBNBQ-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.70
Rot. Bonds2

About (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone (PubChem CID 859628) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
PubChem CID859628
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2
InChIInChI=1S/C14H12ClNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2
InChIKeyZXCMGFVABPBNBQ-UHFFFAOYSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 855908
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
[2-Amino-4-(2,2-dimethylpropyl)-5-(2-phenylethynyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 101882375
(2-Amino-4,5-dimethylthiophen-3-yl)(2-chlorophenyl)methanone
CID 859637
(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-p-tolyl-methanone
CID 860207
(2-Amino-4-(3,5-bis(trifluoromethyl)phenyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25263603
(2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(3,4-dichloro-phenyl)-methanone
CID 403297
(2-Amino-3-thienyl)(4-chlorophenyl)methanone
CID 654924
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-chlorophenyl)methanone
CID 9815157
(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(3-chlorophenyl)methanone
CID 12426504
3-benzoyl-4H,5H,6H-cyclopenta[b]thiophen-2-amine
CID 14241840
4,5-Dimethyl-3-(4-methylbenzoyl)thiophen-2-amine
CID 855906

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone (CID 859628) is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone is Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2.
What is the InChIKey of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is ZXCMGFVABPBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2.
What are the key properties of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone?
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 277.78 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 859628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).