N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide

C24H32N2O2S — CID 7283286

IUPACN-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
SMILESCC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O2S/c1-6-17(2)26(23(28)24(3,4)5)16-21(27)25-14-12-20-19(13-15-29-20)22(25)18-10-8-7-9-11-18/h7-11,13,15,17,22H,6,12,14,16H2,1-5H3/t17-,22-/m1/s1
InChIKeyRIELLUSBZBRDSO-VGOFRKELSA-N
MW412.60 g/mol
LogP4.90
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide

N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (PubChem CID 7283286) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
PubChem CID7283286
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC NameN-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
SMILESCC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O2S/c1-6-17(2)26(23(28)24(3,4)5)16-21(27)25-14-12-20-19(13-15-29-20)22(25)18-10-8-7-9-11-18/h7-11,13,15,17,22H,6,12,14,16H2,1-5H3/t17-,22-/m1/s1
InChIKeyRIELLUSBZBRDSO-VGOFRKELSA-N
XLogP4.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide with MolForge

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Related Compounds

N-butan-2-yl-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 3956341
N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 7289270
N-butan-2-yl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]hexanamide
CID 5023565
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-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide
CID 92515783
N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide
CID 92515781
N-butan-2-yl-2-(4-fluorophenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 4317536
3-(1-adamantyl)-1-butan-2-yl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
CID 3578760
N-butan-2-yl-N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 5028105
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 5157507
N-[(2S)-butan-2-yl]-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7482610
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (CID 7283286) is N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide is CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
The InChIKey is RIELLUSBZBRDSO-VGOFRKELSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-6-17(2)26(23(28)24(3,4)5)16-21(27)25-14-12-20-19(13-15-29-20)22(25)18-10-8-7-9-11-18/h7-11,13,15,17,22H,6,12,14,16H2,1-5H3/t17-,22-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide has a molecular weight of 412.60 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide is sourced from PubChem (CID 7283286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).