N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide

C23H24N2O2S2 — CID 55762563

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccccc2N2CCc3sccc3C2)cc1
InChIInChI=1S/C23H24N2O2S2/c1-27-18-6-8-19(9-7-18)28-15-12-23(26)24-20-4-2-3-5-21(20)25-13-10-22-17(16-25)11-14-29-22/h2-9,11,14H,10,12-13,15-16H2,1H3,(H,24,26)
InChIKeyPEFFIHZZPLVYFJ-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.44
Rot. Bonds7

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 55762563) has the molecular formula C23H24N2O2S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID55762563
Molecular FormulaC23H24N2O2S2
Molecular Weight424.59 g/mol
Exact Mass424.13
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccccc2N2CCc3sccc3C2)cc1
InChIInChI=1S/C23H24N2O2S2/c1-27-18-6-8-19(9-7-18)28-15-12-23(26)24-20-4-2-3-5-21(20)25-13-10-22-17(16-25)11-14-29-22/h2-9,11,14H,10,12-13,15-16H2,1H3,(H,24,26)
InChIKeyPEFFIHZZPLVYFJ-UHFFFAOYSA-N
XLogP5.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide 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-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55663985
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55664250
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55762637
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]acetamide
CID 55762245
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55762467
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide
CID 123305709
2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
CID 55664221
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
methyl 6-benzyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44994525
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-naphthalen-1-ylpropanamide
CID 24596310

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide (CID 55762563) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)Nc2ccccc2N2CCc3sccc3C2)cc1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is PEFFIHZZPLVYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S2/c1-27-18-6-8-19(9-7-18)28-15-12-23(26)24-20-4-2-3-5-21(20)25-13-10-22-17(16-25)11-14-29-22/h2-9,11,14H,10,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 424.59 g/mol, XLogP of 5.44, 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)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 55762563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).