N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide

C23H28N2O3S — CID 93168887

IUPACN-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C23H28N2O3S/c1-2-12-24(23(27)17-8-9-17)15-22(26)25-13-10-21-19(11-14-29-21)20(25)16-28-18-6-4-3-5-7-18/h3-7,11,14,17,20H,2,8-10,12-13,15-16H2,1H3/t20-/m1/s1
InChIKeySIYLDQZZWLPVHP-HXUWFJFHSA-N
MW412.56 g/mol
LogP3.90
Rot. Bonds8

About N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide

N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide (PubChem CID 93168887) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide
PubChem CID93168887
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C23H28N2O3S/c1-2-12-24(23(27)17-8-9-17)15-22(26)25-13-10-21-19(11-14-29-21)20(25)16-28-18-6-4-3-5-7-18/h3-7,11,14,17,20H,2,8-10,12-13,15-16H2,1H3/t20-/m1/s1
InChIKeySIYLDQZZWLPVHP-HXUWFJFHSA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 46011335
N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
CID 46011250
N-[2-[(4S)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 93169789
1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea
CID 46012657
N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 93167299
N-(3-methoxypropyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide
CID 46011318
N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide
CID 46011324
N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 93166674
3-methyl-N-[2-oxo-2-[(4R)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylbenzamide
CID 93168902
N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 93168819
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 93170748
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylacetamide
CID 93166318

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide?
The IUPAC name of N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide (CID 93168887) is N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide is CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1.
What is the InChIKey of N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide?
The InChIKey is SIYLDQZZWLPVHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-2-12-24(23(27)17-8-9-17)15-22(26)25-13-10-21-19(11-14-29-21)20(25)16-28-18-6-4-3-5-7-18/h3-7,11,14,17,20H,2,8-10,12-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide?
N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 93168887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).