N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide

C22H24N2OS3 — CID 112827085

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCSc1ccc(C(CNC(=O)Cc2ccsc2)N2CCc3sccc3C2)cc1
InChIInChI=1S/C22H24N2OS3/c1-26-19-4-2-17(3-5-19)20(13-23-22(25)12-16-7-10-27-15-16)24-9-6-21-18(14-24)8-11-28-21/h2-5,7-8,10-11,15,20H,6,9,12-14H2,1H3,(H,23,25)
InChIKeyKFWHEEHIDRTBJI-UHFFFAOYSA-N
MW428.65 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 112827085) has the molecular formula C22H24N2OS3 and a molecular weight of 428.65 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID112827085
Molecular FormulaC22H24N2OS3
Molecular Weight428.65 g/mol
Exact Mass428.11
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCSc1ccc(C(CNC(=O)Cc2ccsc2)N2CCc3sccc3C2)cc1
InChIInChI=1S/C22H24N2OS3/c1-26-19-4-2-17(3-5-19)20(13-23-22(25)12-16-7-10-27-15-16)24-9-6-21-18(14-24)8-11-28-21/h2-5,7-8,10-11,15,20H,6,9,12-14H2,1H3,(H,23,25)
InChIKeyKFWHEEHIDRTBJI-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 51948863
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride
CID 119857438
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide;dihydrochloride
CID 119857430
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide
CID 120703810
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616315
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)urea
CID 86874163
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703809
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide
CID 55713707
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111069071
N-[2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112826543
N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-2-thiophen-3-ylacetamide
CID 99927845

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide (CID 112827085) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide is CSc1ccc(C(CNC(=O)Cc2ccsc2)N2CCc3sccc3C2)cc1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is KFWHEEHIDRTBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS3/c1-26-19-4-2-17(3-5-19)20(13-23-22(25)12-16-7-10-27-15-16)24-9-6-21-18(14-24)8-11-28-21/h2-5,7-8,10-11,15,20H,6,9,12-14H2,1H3,(H,23,25).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 428.65 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 112827085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).