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

C29H34N2O2S — CID 4553826

IUPACN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C29H34N2O2S/c1-4-17-30(29(33)24(5-2)22-9-7-6-8-10-22)20-27(32)31-18-15-26-25(16-19-34-26)28(31)23-13-11-21(3)12-14-23/h6-14,16,19,24,28H,4-5,15,17-18,20H2,1-3H3
InChIKeySEVPXEFUTIVBJU-UHFFFAOYSA-N
MW474.67 g/mol
LogP5.96
Rot. Bonds8

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

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide (PubChem CID 4553826) has the molecular formula C29H34N2O2S and a molecular weight of 474.67 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
PubChem CID4553826
Molecular FormulaC29H34N2O2S
Molecular Weight474.67 g/mol
Exact Mass474.23
IUPAC NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C29H34N2O2S/c1-4-17-30(29(33)24(5-2)22-9-7-6-8-10-22)20-27(32)31-18-15-26-25(16-19-34-26)28(31)23-13-11-21(3)12-14-23/h6-14,16,19,24,28H,4-5,15,17-18,20H2,1-3H3
InChIKeySEVPXEFUTIVBJU-UHFFFAOYSA-N
XLogP5.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylbutanamide
CID 3288078
N-butyl-2-chloro-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4308751
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide
CID 5240753
N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 7495638
N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylbenzamide
CID 7348085
N-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 7238697
N-tert-butyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylbutanamide
CID 3891446
2-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylbenzamide
CID 4695601
2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylpropanamide
CID 7404932
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-[(2R)-butan-2-yl]-2-methyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7250090
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide
CID 5253093

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]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide (CID 4553826) is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide is CCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The InChIKey is SEVPXEFUTIVBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2S/c1-4-17-30(29(33)24(5-2)22-9-7-6-8-10-22)20-27(32)31-18-15-26-25(16-19-34-26)28(31)23-13-11-21(3)12-14-23/h6-14,16,19,24,28H,4-5,15,17-18,20H2,1-3H3.
What are the key properties of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide has a molecular weight of 474.67 g/mol, XLogP of 5.96, 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]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 4553826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).