N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide

C19H23N3O2S — CID 40882407

IUPACN,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-21(2)18(24)12-20-17(23)13-22-10-8-16-15(9-11-25-16)19(22)14-6-4-3-5-7-14/h3-7,9,11,19H,8,10,12-13H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyALOKUSOORRIAFZ-LJQANCHMSA-N
MW357.48 g/mol
LogP1.90
Rot. Bonds5

About N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide

N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide (PubChem CID 40882407) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
PubChem CID40882407
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-21(2)18(24)12-20-17(23)13-22-10-8-16-15(9-11-25-16)19(22)14-6-4-3-5-7-14/h3-7,9,11,19H,8,10,12-13H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyALOKUSOORRIAFZ-LJQANCHMSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
N-(furan-2-ylmethyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41014272
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460
N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25480406
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46594483
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25489177
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272
2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 26009328

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide (CID 40882407) is N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide is CN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@H]1c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide?
The InChIKey is ALOKUSOORRIAFZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-21(2)18(24)12-20-17(23)13-22-10-8-16-15(9-11-25-16)19(22)14-6-4-3-5-7-14/h3-7,9,11,19H,8,10,12-13H2,1-2H3,(H,20,23)/t19-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide?
N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide has a molecular weight of 357.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide is sourced from PubChem (CID 40882407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).