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

C27H32N2O3S2 — CID 46010582

IUPACN-[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
SMILESCCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1cccs1
InChIInChI=1S/C27H32N2O3S2/c1-4-13-28(27(31)25-6-5-15-33-25)17-26(30)29-14-11-24-22(12-16-34-24)23(29)18-32-21-9-7-20(8-10-21)19(2)3/h5-10,12,15-16,19,23H,4,11,13-14,17-18H2,1-3H3
InChIKeyNOAFKZRYCWWNIH-UHFFFAOYSA-N
MW496.70 g/mol
LogP5.99
Rot. Bonds9

About 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

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 (PubChem CID 46010582) has the molecular formula C27H32N2O3S2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID46010582
Molecular FormulaC27H32N2O3S2
Molecular Weight496.70 g/mol
Exact Mass496.19
IUPAC NameN-[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
SMILESCCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1cccs1
InChIInChI=1S/C27H32N2O3S2/c1-4-13-28(27(31)25-6-5-15-33-25)17-26(30)29-14-11-24-22(12-16-34-24)23(29)18-32-21-9-7-20(8-10-21)19(2)3/h5-10,12,15-16,19,23H,4,11,13-14,17-18H2,1-3H3
InChIKeyNOAFKZRYCWWNIH-UHFFFAOYSA-N
XLogP5.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-methyl-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylpropanamide
CID 93167281
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methylbutyl)thiophene-2-carboxamide
CID 93166483
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methylbutyl)thiophene-2-carboxamide
CID 93166484
N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide
CID 98420689
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
N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 93167299
N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 46009876
N-[(2S)-2-methylbutyl]-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93169399
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]thiophene-2-carboxamide
CID 93170858
N-ethyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 46010530
N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 46010463

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1cccs1.
What is the InChIKey of 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?
The InChIKey is NOAFKZRYCWWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S2/c1-4-13-28(27(31)25-6-5-15-33-25)17-26(30)29-14-11-24-22(12-16-34-24)23(29)18-32-21-9-7-20(8-10-21)19(2)3/h5-10,12,15-16,19,23H,4,11,13-14,17-18H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 496.70 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46010582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).