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

C17H20N2O2S — CID 8999892

IUPACN-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C
InChIInChI=1S/C17H20N2O2S/c1-12-13-8-10-22-16(13)7-9-19(12)11-17(20)18-14-5-3-4-6-15(14)21-2/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyWBKFUEHLMDPBQT-LBPRGKRZSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 8999892) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID8999892
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C
InChIInChI=1S/C17H20N2O2S/c1-12-13-8-10-22-16(13)7-9-19(12)11-17(20)18-14-5-3-4-6-15(14)21-2/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyWBKFUEHLMDPBQT-LBPRGKRZSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8999966
ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999990
ethyl 2-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999987
N-(2-cyanophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999750
N-(2,4-dimethylphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999878
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
N-(4-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999657
2-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 55412348
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-dimethoxyphenyl)-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46482784
N-(2,4-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999920

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 8999892) is N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is COc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is WBKFUEHLMDPBQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-13-8-10-22-16(13)7-9-19(12)11-17(20)18-14-5-3-4-6-15(14)21-2/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 8999892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).