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

C25H28N2O4S2 — CID 46010811

IUPACN-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(=O)c1cccs1
InChIInChI=1S/C25H28N2O4S2/c1-3-11-26(25(29)23-8-5-13-32-23)16-24(28)27-12-9-22-20(10-14-33-22)21(27)17-31-19-7-4-6-18(15-19)30-2/h4-8,10,13-15,21H,3,9,11-12,16-17H2,1-2H3
InChIKeyGJAYSZGPTKIWKW-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.88
Rot. Bonds9

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

N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide (PubChem CID 46010811) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
PubChem CID46010811
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC NameN-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(=O)c1cccs1
InChIInChI=1S/C25H28N2O4S2/c1-3-11-26(25(29)23-8-5-13-32-23)16-24(28)27-12-9-22-20(10-14-33-22)21(27)17-31-19-7-4-6-18(15-19)30-2/h4-8,10,13-15,21H,3,9,11-12,16-17H2,1-2H3
InChIKeyGJAYSZGPTKIWKW-UHFFFAOYSA-N
XLogP4.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 46010812
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 93170738
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]thiophene-2-carboxamide
CID 93167774
N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylthiophene-2-carboxamide
CID 46010582
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
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-(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-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
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-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 46010156
1-[2-[(4S)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-dipropylurea
CID 93172276

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 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) is N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide is CCCN(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is GJAYSZGPTKIWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-3-11-26(25(29)23-8-5-13-32-23)16-24(28)27-12-9-22-20(10-14-33-22)21(27)17-31-19-7-4-6-18(15-19)30-2/h4-8,10,13-15,21H,3,9,11-12,16-17H2,1-2H3.
What are the key properties of N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 46010811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).