N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide

C31H30N2O2S — CID 67357373

IUPACN,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O2S/c34-29(32(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25)16-17-30(35)33-20-18-28-27(19-21-36-28)31(33)26-14-8-3-9-15-26/h1-15,19,21,31H,16-18,20,22-23H2
InChIKeyCNVRDUHRLFEGCX-UHFFFAOYSA-N
MW494.66 g/mol
LogP6.23
Rot. Bonds8

About N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide

N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide (PubChem CID 67357373) has the molecular formula C31H30N2O2S and a molecular weight of 494.66 g/mol. Its IUPAC name is N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
PubChem CID67357373
Molecular FormulaC31H30N2O2S
Molecular Weight494.66 g/mol
Exact Mass494.20
IUPAC NameN,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O2S/c34-29(32(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25)16-17-30(35)33-20-18-28-27(19-21-36-28)31(33)26-14-8-3-9-15-26/h1-15,19,21,31H,16-18,20,22-23H2
InChIKeyCNVRDUHRLFEGCX-UHFFFAOYSA-N
XLogP6.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide 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

2-[benzyl(methyl)amino]-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47052994
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
2-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3963088
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]hexanamide
CID 7237908
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide
CID 3665663
2-chloro-N-(2-methoxyethyl)-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 7396506
N-(3-ethoxypropyl)-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
CID 7412345
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3463174
2-[3-oxo-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]isoindole-1,3-dione
CID 17467414

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The IUPAC name of N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide (CID 67357373) is N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide.
What is the SMILES notation for N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The canonical SMILES for N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide is O=C(CCC(=O)N1CCc2sccc2C1c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The InChIKey is CNVRDUHRLFEGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2S/c34-29(32(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25)16-17-30(35)33-20-18-28-27(19-21-36-28)31(33)26-14-8-3-9-15-26/h1-15,19,21,31H,16-18,20,22-23H2.
What are the key properties of N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide has a molecular weight of 494.66 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide is sourced from PubChem (CID 67357373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).