N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide

C19H22N2O2S — CID 8949047

IUPACN-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-13-16-9-11-24-18(16)8-10-21(13)19(23)12-17(20-14(2)22)15-6-4-3-5-7-15/h3-7,9,11,13,17H,8,10,12H2,1-2H3,(H,20,22)/t13-,17-/m1/s1
InChIKeyOLKRVRPJRHPHAD-CXAGYDPISA-N
MW342.46 g/mol
LogP3.46
Rot. Bonds4

About N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide

N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 8949047) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID8949047
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-13-16-9-11-24-18(16)8-10-21(13)19(23)12-17(20-14(2)22)15-6-4-3-5-7-15/h3-7,9,11,13,17H,8,10,12H2,1-2H3,(H,20,22)/t13-,17-/m1/s1
InChIKeyOLKRVRPJRHPHAD-CXAGYDPISA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
CID 9074692
N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
CID 51583370
3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 81087579
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 120573189
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
3-(2-aminophenyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 120608334
2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949001
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide (CID 8949047) is N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccccc1.
What is the InChIKey of N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is OLKRVRPJRHPHAD-CXAGYDPISA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-16-9-11-24-18(16)8-10-21(13)19(23)12-17(20-14(2)22)15-6-4-3-5-7-15/h3-7,9,11,13,17H,8,10,12H2,1-2H3,(H,20,22)/t13-,17-/m1/s1.
What are the key properties of N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide?
N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 8949047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).