N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide

C27H36N2O4S — CID 93167890

IUPACN-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
SMILESCOc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C1CCCC1
InChIInChI=1S/C27H36N2O4S/c1-19(2)16-28(27(31)20-8-4-5-9-20)17-26(30)29-14-12-25-21(13-15-34-25)22(29)18-33-24-11-7-6-10-23(24)32-3/h6-7,10-11,13,15,19-20,22H,4-5,8-9,12,14,16-18H2,1-3H3/t22-/m0/s1
InChIKeyLLUOVTXCVGYPDD-QFIPXVFZSA-N
MW484.66 g/mol
LogP4.94
Rot. Bonds9

About N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide

N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide (PubChem CID 93167890) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
PubChem CID93167890
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC NameN-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
SMILESCOc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C1CCCC1
InChIInChI=1S/C27H36N2O4S/c1-19(2)16-28(27(31)20-8-4-5-9-20)17-26(30)29-14-12-25-21(13-15-34-25)22(29)18-33-24-11-7-6-10-23(24)32-3/h6-7,10-11,13,15,19-20,22H,4-5,8-9,12,14,16-18H2,1-3H3/t22-/m0/s1
InChIKeyLLUOVTXCVGYPDD-QFIPXVFZSA-N
XLogP4.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide with MolForge

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Related Compounds

N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide
CID 93168227
N-[2-[(4S)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93167873
N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 93167878
4-fluoro-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 93167866
1-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea
CID 93171596
N-[2-[(4S)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 93168316
N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 46011071
N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
CID 46011030
3-methoxy-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 93167896
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
N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 93168116
N-(2-methoxyethyl)-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 46010903

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The IUPAC name of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide (CID 93167890) is N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide is COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C1CCCC1.
What is the InChIKey of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The InChIKey is LLUOVTXCVGYPDD-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-19(2)16-28(27(31)20-8-4-5-9-20)17-26(30)29-14-12-25-21(13-15-34-25)22(29)18-33-24-11-7-6-10-23(24)32-3/h6-7,10-11,13,15,19-20,22H,4-5,8-9,12,14,16-18H2,1-3H3/t22-/m0/s1.
What are the key properties of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide is sourced from PubChem (CID 93167890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).