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

C16H16Cl2N2OS — CID 8999795

IUPACN-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2OS/c1-10-12-5-7-22-15(12)4-6-20(10)9-16(21)19-14-8-11(17)2-3-13(14)18/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyYFPRDJZIQOCRTJ-JTQLQIEISA-N
MW355.29 g/mol
LogP4.61
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 8999795) has the molecular formula C16H16Cl2N2OS and a molecular weight of 355.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID8999795
Molecular FormulaC16H16Cl2N2OS
Molecular Weight355.29 g/mol
Exact Mass354.04
IUPAC NameN-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2OS/c1-10-12-5-7-22-15(12)4-6-20(10)9-16(21)19-14-8-11(17)2-3-13(14)18/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyYFPRDJZIQOCRTJ-JTQLQIEISA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999920
N-(4-chloro-2-nitrophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000047
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
N-(2,4-dimethylphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999878
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
N-(5-chloro-2-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128720
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999892
N-(2,4-dichlorophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 45281412
N-(2-cyanophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999750
N-(4-iodophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999831
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 25475294
N-(4-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999657

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 8999795) is N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is YFPRDJZIQOCRTJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16Cl2N2OS/c1-10-12-5-7-22-15(12)4-6-20(10)9-16(21)19-14-8-11(17)2-3-13(14)18/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 355.29 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 8999795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).