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

C20H18Cl2N2OS2 — CID 24589322

IUPACN-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESO=C(CCN1CCc2sccc2C1c1cccs1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H18Cl2N2OS2/c21-14-3-1-4-15(22)19(14)23-18(25)7-10-24-9-6-16-13(8-12-27-16)20(24)17-5-2-11-26-17/h1-5,8,11-12,20H,6-7,9-10H2,(H,23,25)
InChIKeyDPMNYWBYOGVBQX-UHFFFAOYSA-N
MW437.42 g/mol
LogP6.09
Rot. Bonds5

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

N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (PubChem CID 24589322) has the molecular formula C20H18Cl2N2OS2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
PubChem CID24589322
Molecular FormulaC20H18Cl2N2OS2
Molecular Weight437.42 g/mol
Exact Mass436.02
IUPAC NameN-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESO=C(CCN1CCc2sccc2C1c1cccs1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H18Cl2N2OS2/c21-14-3-1-4-15(22)19(14)23-18(25)7-10-24-9-6-16-13(8-12-27-16)20(24)17-5-2-11-26-17/h1-5,8,11-12,20H,6-7,9-10H2,(H,23,25)
InChIKeyDPMNYWBYOGVBQX-UHFFFAOYSA-N
XLogP6.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 55482541
1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 42962076
2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 78817586
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-(2,4-dichlorophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 45281412
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41023384
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
N-(3-fluorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129014

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (CID 24589322) is N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is O=C(CCN1CCc2sccc2C1c1cccs1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The InChIKey is DPMNYWBYOGVBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS2/c21-14-3-1-4-15(22)19(14)23-18(25)7-10-24-9-6-16-13(8-12-27-16)20(24)17-5-2-11-26-17/h1-5,8,11-12,20H,6-7,9-10H2,(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide has a molecular weight of 437.42 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 24589322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).