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

C23H28N2O4S — CID 46011250

IUPACN-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C23H28N2O4S/c1-28-13-12-24(23(27)17-7-8-17)15-22(26)25-11-9-21-19(10-14-30-21)20(25)16-29-18-5-3-2-4-6-18/h2-6,10,14,17,20H,7-9,11-13,15-16H2,1H3
InChIKeyGAGVBSDMEHIENY-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.14
Rot. Bonds9

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

N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 46011250) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
PubChem CID46011250
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C23H28N2O4S/c1-28-13-12-24(23(27)17-7-8-17)15-22(26)25-11-9-21-19(10-14-30-21)20(25)16-29-18-5-3-2-4-6-18/h2-6,10,14,17,20H,7-9,11-13,15-16H2,1H3
InChIKeyGAGVBSDMEHIENY-UHFFFAOYSA-N
XLogP3.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide with MolForge

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Related Compounds

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-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopropanecarboxamide
CID 93168887
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 93166144
N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 46011335
N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 46011837
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)cyclopropanecarboxamide
CID 93166306
1-(2-methoxyethyl)-1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-3-propylurea
CID 46012636
1-(2-methoxyethyl)-1-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-3-propylurea
CID 93171821
N-[2-[(4R)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 93169596
1-(2-methoxyethyl)-3-(4-methylphenyl)-1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]urea
CID 46012635
N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 46011509
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 93166134

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide (CID 46011250) is N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide is COCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)C1CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is GAGVBSDMEHIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-28-13-12-24(23(27)17-7-8-17)15-22(26)25-11-9-21-19(10-14-30-21)20(25)16-29-18-5-3-2-4-6-18/h2-6,10,14,17,20H,7-9,11-13,15-16H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide?
N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46011250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).