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

C23H30N2O5S — CID 93171070

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)COC
InChIInChI=1S/C23H30N2O5S/c1-17-6-4-5-7-20(17)30-15-19-18-9-13-31-21(18)8-10-25(19)22(26)14-24(11-12-28-2)23(27)16-29-3/h4-7,9,13,19H,8,10-12,14-16H2,1-3H3/t19-/m1/s1
InChIKeyBSDLGZAFIWDPSL-LJQANCHMSA-N
MW446.57 g/mol
LogP2.68
Rot. Bonds10

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

2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 93171070) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
PubChem CID93171070
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)COC
InChIInChI=1S/C23H30N2O5S/c1-17-6-4-5-7-20(17)30-15-19-18-9-13-31-21(18)8-10-25(19)22(26)14-24(11-12-28-2)23(27)16-29-3/h4-7,9,13,19H,8,10-12,14-16H2,1-3H3/t19-/m1/s1
InChIKeyBSDLGZAFIWDPSL-LJQANCHMSA-N
XLogP2.68
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-3-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 46012286
N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 93171312
N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93171048
4-fluoro-N-(2-methoxyethyl)-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 46012280
2-fluoro-N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93171063
2-methoxy-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
CID 46012311
N-(2-methoxyethyl)-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46012297
N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 93171022
N-[2-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-methoxyacetamide
CID 46011099
N-[2-[(4S)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide
CID 93169977
N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 93171335
N-(2-methoxyethyl)-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 46010903

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 93171070) is 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)COC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is BSDLGZAFIWDPSL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-6-4-5-7-20(17)30-15-19-18-9-13-31-21(18)8-10-25(19)22(26)14-24(11-12-28-2)23(27)16-29-3/h4-7,9,13,19H,8,10-12,14-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 93171070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).