N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C21H20F2N2OS2 — CID 11936885

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N2OS2/c1-13(15-5-4-14(22)11-17(15)23)24-20(26)12-25-8-6-18-16(7-10-28-18)21(25)19-3-2-9-27-19/h2-5,7,9-11,13,21H,6,8,12H2,1H3,(H,24,26)/t13-,21+/m0/s1
InChIKeyDMTRCUCBFIEZQO-YEJXKQKISA-N
MW418.53 g/mol
LogP4.91
Rot. Bonds5

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 11936885) has the molecular formula C21H20F2N2OS2 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID11936885
Molecular FormulaC21H20F2N2OS2
Molecular Weight418.53 g/mol
Exact Mass418.10
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N2OS2/c1-13(15-5-4-14(22)11-17(15)23)24-20(26)12-25-8-6-18-16(7-10-28-18)21(25)19-3-2-9-27-19/h2-5,7,9-11,13,21H,6,8,12H2,1H3,(H,24,26)/t13-,21+/m0/s1
InChIKeyDMTRCUCBFIEZQO-YEJXKQKISA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129014
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-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889
N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128676
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
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-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861
N-(2,4-dichlorophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 45281412
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 11936885) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is DMTRCUCBFIEZQO-YEJXKQKISA-N. The full InChI is InChI=1S/C21H20F2N2OS2/c1-13(15-5-4-14(22)11-17(15)23)24-20(26)12-25-8-6-18-16(7-10-28-18)21(25)19-3-2-9-27-19/h2-5,7,9-11,13,21H,6,8,12H2,1H3,(H,24,26)/t13-,21+/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 418.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 11936885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).