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

C23H26N2O2S2 — CID 24568266

IUPACN-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2sccc2C1c1cccs1)NCCCOCc1ccccc1
InChIInChI=1S/C23H26N2O2S2/c26-22(24-11-5-13-27-17-18-6-2-1-3-7-18)16-25-12-9-20-19(10-15-29-20)23(25)21-8-4-14-28-21/h1-4,6-8,10,14-15,23H,5,9,11-13,16-17H2,(H,24,26)
InChIKeyBZFVOEAHJGMMES-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.48
Rot. Bonds9

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

N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 24568266) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID24568266
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC NameN-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2sccc2C1c1cccs1)NCCCOCc1ccccc1
InChIInChI=1S/C23H26N2O2S2/c26-22(24-11-5-13-27-17-18-6-2-1-3-7-18)16-25-12-9-20-19(10-15-29-20)23(25)21-8-4-14-28-21/h1-4,6-8,10,14-15,23H,5,9,11-13,16-17H2,(H,24,26)
InChIKeyBZFVOEAHJGMMES-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]butanoate
CID 9129396
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-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128652
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
N-(2-methoxyethylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 27101666
N-(2-methoxyethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 27101669
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 24568267
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 78817586
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-phenylpropyl)acetamide
CID 8999972
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 24568266) is N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is O=C(CN1CCc2sccc2C1c1cccs1)NCCCOCc1ccccc1.
What is the InChIKey of N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is BZFVOEAHJGMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c26-22(24-11-5-13-27-17-18-6-2-1-3-7-18)16-25-12-9-20-19(10-15-29-20)23(25)21-8-4-14-28-21/h1-4,6-8,10,14-15,23H,5,9,11-13,16-17H2,(H,24,26).
What are the key properties of N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 426.61 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 24568266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).