N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide

C24H32N2O2S — CID 5240753

IUPACN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)CC(=O)N1CCc2sccc2C1c1ccc(C)cc1
InChIInChI=1S/C24H32N2O2S/c1-4-6-7-22(27)25(14-5-2)17-23(28)26-15-12-21-20(13-16-29-21)24(26)19-10-8-18(3)9-11-19/h8-11,13,16,24H,4-7,12,14-15,17H2,1-3H3
InChIKeyHNUCBROZUMCQJR-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.96
Rot. Bonds8

About N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide (PubChem CID 5240753) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide
PubChem CID5240753
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)CC(=O)N1CCc2sccc2C1c1ccc(C)cc1
InChIInChI=1S/C24H32N2O2S/c1-4-6-7-22(27)25(14-5-2)17-23(28)26-15-12-21-20(13-16-29-21)24(26)19-10-8-18(3)9-11-19/h8-11,13,16,24H,4-7,12,14-15,17H2,1-3H3
InChIKeyHNUCBROZUMCQJR-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7350054
N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]heptanamide
CID 4210819
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylhexanamide
CID 3915347
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylnonanamide
CID 5027977
N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 7495638
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
N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]octanamide
CID 3626772
N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7265309
1-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]octan-1-one
CID 4317824
N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methylbenzamide
CID 3626774
N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 7361399

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide (CID 5240753) is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide is CCCCC(=O)N(CCC)CC(=O)N1CCc2sccc2C1c1ccc(C)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide?
The InChIKey is HNUCBROZUMCQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-4-6-7-22(27)25(14-5-2)17-23(28)26-15-12-21-20(13-16-29-21)24(26)19-10-8-18(3)9-11-19/h8-11,13,16,24H,4-7,12,14-15,17H2,1-3H3.
What are the key properties of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide?
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide has a molecular weight of 412.60 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide is sourced from PubChem (CID 5240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).