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

C28H32N2O5S — CID 46010812

IUPAC4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H32N2O5S/c1-4-14-29(28(32)20-8-10-21(33-2)11-9-20)18-27(31)30-15-12-26-24(13-16-36-26)25(30)19-35-23-7-5-6-22(17-23)34-3/h5-11,13,16-17,25H,4,12,14-15,18-19H2,1-3H3
InChIKeyHYCBUUOALILTSI-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.82
Rot. Bonds10

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

4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide (PubChem CID 46010812) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
PubChem CID46010812
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC Name4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H32N2O5S/c1-4-14-29(28(32)20-8-10-21(33-2)11-9-20)18-27(31)30-15-12-26-24(13-16-36-26)25(30)19-35-23-7-5-6-22(17-23)34-3/h5-11,13,16-17,25H,4,12,14-15,18-19H2,1-3H3
InChIKeyHYCBUUOALILTSI-UHFFFAOYSA-N
XLogP4.82
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 46010820
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
N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 46010811
4-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 93167511
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxy-N-propylbenzamide
CID 93166324
N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxy-N-propylbenzamide
CID 46010174
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-propylbenzamide
CID 93166343
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
3-methoxy-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 46011002
N-[(2R)-butan-2-yl]-4-methoxy-N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93167623
4-methoxy-N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 93167574
3-fluoro-N-[2-[(4S)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 93170249

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide (CID 46010812) is 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide?
The InChIKey is HYCBUUOALILTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-4-14-29(28(32)20-8-10-21(33-2)11-9-20)18-27(31)30-15-12-26-24(13-16-36-26)25(30)19-35-23-7-5-6-22(17-23)34-3/h5-11,13,16-17,25H,4,12,14-15,18-19H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide?
4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 508.64 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 46010812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).