N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide

C24H32N2O3S — CID 7399680

IUPACN-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O3S/c1-6-13-25(23(28)24(2,3)4)16-21(27)26-14-11-20-19(12-15-30-20)22(26)17-7-9-18(29-5)10-8-17/h7-10,12,15,22H,6,11,13-14,16H2,1-5H3/t22-/m1/s1
InChIKeyVZFSPKYFNNYVPG-JOCHJYFZSA-N
MW428.60 g/mol
LogP4.52
Rot. Bonds6

About N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide

N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide (PubChem CID 7399680) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
PubChem CID7399680
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O3S/c1-6-13-25(23(28)24(2,3)4)16-21(27)26-14-11-20-19(12-15-30-20)22(26)17-7-9-18(29-5)10-8-17/h7-10,12,15,22H,6,11,13-14,16H2,1-5H3/t22-/m1/s1
InChIKeyVZFSPKYFNNYVPG-JOCHJYFZSA-N
XLogP4.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide with MolForge

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Related Compounds

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-[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-butyl-N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 3683707
4-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylbenzamide
CID 4666319
N-(2-methoxyethyl)-2,2-dimethyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7364620
(E)-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6041032
3,4-dichloro-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 5227727
N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 3649114
N-butyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
CID 3987984
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]hexan-1-one
CID 7265535
N,4-dibutyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4987649
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 3284223

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide (CID 7399680) is N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide is CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The InChIKey is VZFSPKYFNNYVPG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-6-13-25(23(28)24(2,3)4)16-21(27)26-14-11-20-19(12-15-30-20)22(26)17-7-9-18(29-5)10-8-17/h7-10,12,15,22H,6,11,13-14,16H2,1-5H3/t22-/m1/s1.
What are the key properties of N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide has a molecular weight of 428.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 7399680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).