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

C21H21N3OS2 — CID 60563534

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C21H21N3OS2/c25-21(14-24-10-7-20-17(13-24)8-11-26-20)23-18-3-5-19(6-4-18)27-15-16-2-1-9-22-12-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,23,25)
InChIKeyBJVPOTQSJOAZAB-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.43
Rot. Bonds6

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 60563534) has the molecular formula C21H21N3OS2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID60563534
Molecular FormulaC21H21N3OS2
Molecular Weight395.55 g/mol
Exact Mass395.11
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C21H21N3OS2/c25-21(14-24-10-7-20-17(13-24)8-11-26-20)23-18-3-5-19(6-4-18)27-15-16-2-1-9-22-12-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,23,25)
InChIKeyBJVPOTQSJOAZAB-UHFFFAOYSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide with MolForge

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17456500
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 60563534) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is O=C(CN1CCc2sccc2C1)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is BJVPOTQSJOAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS2/c25-21(14-24-10-7-20-17(13-24)8-11-26-20)23-18-3-5-19(6-4-18)27-15-16-2-1-9-22-12-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,23,25).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 60563534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).