N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide

C28H32N2O5S — CID 93167555

IUPACN-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)Cc1ccccc1
InChIInChI=1S/C28H32N2O5S/c1-33-15-14-29(27(31)17-21-7-4-3-5-8-21)19-28(32)30-13-11-26-24(12-16-36-26)25(30)20-35-23-10-6-9-22(18-23)34-2/h3-10,12,16,18,25H,11,13-15,17,19-20H2,1-2H3/t25-/m0/s1
InChIKeyYXQLLHRFQOHRPI-VWLOTQADSA-N
MW508.64 g/mol
LogP3.98
Rot. Bonds11

About N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide

N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 93167555) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID93167555
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC NameN-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)Cc1ccccc1
InChIInChI=1S/C28H32N2O5S/c1-33-15-14-29(27(31)17-21-7-4-3-5-8-21)19-28(32)30-13-11-26-24(12-16-36-26)25(30)20-35-23-10-6-9-22(18-23)34-2/h3-10,12,16,18,25H,11,13-15,17,19-20H2,1-2H3/t25-/m0/s1
InChIKeyYXQLLHRFQOHRPI-VWLOTQADSA-N
XLogP3.98
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93167545
N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
CID 93168859
N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 98424080
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylacetamide
CID 46012143
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylacetamide
CID 93166308
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylacetamide
CID 93170724
N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
CID 46011250
N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 93167713
4-methoxy-N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 98423927
1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(3-methoxypropyl)-3-propan-2-ylurea
CID 46012514
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
CID 46011369
3-fluoro-N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 93167729

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide (CID 93167555) is N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide is COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is YXQLLHRFQOHRPI-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-33-15-14-29(27(31)17-21-7-4-3-5-8-21)19-28(32)30-13-11-26-24(12-16-36-26)25(30)20-35-23-10-6-9-22(18-23)34-2/h3-10,12,16,18,25H,11,13-15,17,19-20H2,1-2H3/t25-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide?
N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 508.64 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 93167555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).