[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone

C22H21ClN2OS — CID 18351235

IUPAC[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(CCc1ccccc1)C2
InChIInChI=1S/C22H21ClN2OS/c23-17-8-6-16(7-9-17)21(26)20-18-11-13-25(14-19(18)27-22(20)24)12-10-15-4-2-1-3-5-15/h1-9H,10-14,24H2
InChIKeyVMIQRWAFDLFQEJ-UHFFFAOYSA-N
MW396.94 g/mol
LogP4.82
Rot. Bonds5

About [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone

[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone (PubChem CID 18351235) has the molecular formula C22H21ClN2OS and a molecular weight of 396.94 g/mol. Its IUPAC name is [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone
PubChem CID18351235
Molecular FormulaC22H21ClN2OS
Molecular Weight396.94 g/mol
Exact Mass396.11
IUPAC Name[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(CCc1ccccc1)C2
InChIInChI=1S/C22H21ClN2OS/c23-17-8-6-16(7-9-17)21(26)20-18-11-13-25(14-19(18)27-22(20)24)12-10-15-4-2-1-3-5-15/h1-9H,10-14,24H2
InChIKeyVMIQRWAFDLFQEJ-UHFFFAOYSA-N
XLogP4.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 65354678
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
CID 65354949
ethyl 2-amino-6-[3-(4-chlorophenyl)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464823
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
CID 10155112
(2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-yl)-(4-chlorophenyl)methanone
CID 7194853
2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 175569883
ethyl 2-amino-6-(4-oxo-4-phenylbutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464681
6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 161135643
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 43367365
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone (CID 18351235) is [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone is Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(CCc1ccccc1)C2.
What is the InChIKey of [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is VMIQRWAFDLFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2OS/c23-17-8-6-16(7-9-17)21(26)20-18-11-13-25(14-19(18)27-22(20)24)12-10-15-4-2-1-3-5-15/h1-9H,10-14,24H2.
What are the key properties of [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone?
[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 396.94 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 18351235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).