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

C21H22N2OS2 — CID 55412408

IUPACN-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H22N2OS2/c1-22(14-16-6-3-2-4-7-16)20(24)15-23-11-9-18-17(10-13-26-18)21(23)19-8-5-12-25-19/h2-8,10,12-13,21H,9,11,14-15H2,1H3
InChIKeyRLBJTUYSBQCLMI-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.42
Rot. Bonds5

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

N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 55412408) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID55412408
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC NameN-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H22N2OS2/c1-22(14-16-6-3-2-4-7-16)20(24)15-23-11-9-18-17(10-13-26-18)21(23)19-8-5-12-25-19/h2-8,10,12-13,21H,9,11,14-15H2,1H3
InChIKeyRLBJTUYSBQCLMI-UHFFFAOYSA-N
XLogP4.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412592
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46615492
2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9129325
N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 24568266
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41376261
1-(4-methylsulfonylpiperazin-1-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 40817492
N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 55412408) is N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is CN(Cc1ccccc1)C(=O)CN1CCc2sccc2C1c1cccs1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is RLBJTUYSBQCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c1-22(14-16-6-3-2-4-7-16)20(24)15-23-11-9-18-17(10-13-26-18)21(23)19-8-5-12-25-19/h2-8,10,12-13,21H,9,11,14-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 55412408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).