2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H21N3O2S — CID 17456500

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H21N3O2S/c23-18(13-21-10-7-17-14(12-21)8-11-25-17)20-15-3-5-16(6-4-15)22-9-1-2-19(22)24/h3-6,8,11H,1-2,7,9-10,12-13H2,(H,20,23)
InChIKeyJYLKYNCMTBWMOL-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.87
Rot. Bonds4

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 17456500) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID17456500
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H21N3O2S/c23-18(13-21-10-7-17-14(12-21)8-11-25-17)20-15-3-5-16(6-4-15)22-9-1-2-19(22)24/h3-6,8,11H,1-2,7,9-10,12-13H2,(H,20,23)
InChIKeyJYLKYNCMTBWMOL-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9000802
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55663985
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60563534

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 17456500) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN1CCc2sccc2C1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is JYLKYNCMTBWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(13-21-10-7-17-14(12-21)8-11-25-17)20-15-3-5-16(6-4-15)22-9-1-2-19(22)24/h3-6,8,11H,1-2,7,9-10,12-13H2,(H,20,23).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 17456500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).