2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide

C19H24N2O3S — CID 51500695

IUPAC2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
SMILESCCOc1cc(CN2CCc3sccc3[C@H]2C)ccc1OCC(N)=O
InChIInChI=1S/C19H24N2O3S/c1-3-23-17-10-14(4-5-16(17)24-12-19(20)22)11-21-8-6-18-15(13(21)2)7-9-25-18/h4-5,7,9-10,13H,3,6,8,11-12H2,1-2H3,(H2,20,22)/t13-/m1/s1
InChIKeyMEZYJCBAPXMSBM-CYBMUJFWSA-N
MW360.48 g/mol
LogP3.13
Rot. Bonds7

About 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide

2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide (PubChem CID 51500695) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
PubChem CID51500695
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
SMILESCCOc1cc(CN2CCc3sccc3[C@H]2C)ccc1OCC(N)=O
InChIInChI=1S/C19H24N2O3S/c1-3-23-17-10-14(4-5-16(17)24-12-19(20)22)11-21-8-6-18-15(13(21)2)7-9-25-18/h4-5,7,9-10,13H,3,6,8,11-12H2,1-2H3,(H2,20,22)/t13-/m1/s1
InChIKeyMEZYJCBAPXMSBM-CYBMUJFWSA-N
XLogP3.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 46967179
(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500181
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 171667594
(4S)-4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500136
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
5-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103998198
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3,4,5-triethoxyphenyl)methanone
CID 8948754
2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide
CID 92732400

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide (CID 51500695) is 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide is CCOc1cc(CN2CCc3sccc3[C@H]2C)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide?
The InChIKey is MEZYJCBAPXMSBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-23-17-10-14(4-5-16(17)24-12-19(20)22)11-21-8-6-18-15(13(21)2)7-9-25-18/h4-5,7,9-10,13H,3,6,8,11-12H2,1-2H3,(H2,20,22)/t13-/m1/s1.
What are the key properties of 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide?
2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 51500695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).