N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide

C21H25FN2O3S — CID 42837774

IUPACN-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N1CCc2sccc2C1COc1cccc(F)c1)C(C)C
InChIInChI=1S/C21H25FN2O3S/c1-14(2)24(15(3)25)12-21(26)23-9-7-20-18(8-10-28-20)19(23)13-27-17-6-4-5-16(22)11-17/h4-6,8,10-11,14,19H,7,9,12-13H2,1-3H3
InChIKeyLEZDJOCASZWZEO-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.65
Rot. Bonds6

About N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide

N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 42837774) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID42837774
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N1CCc2sccc2C1COc1cccc(F)c1)C(C)C
InChIInChI=1S/C21H25FN2O3S/c1-14(2)24(15(3)25)12-21(26)23-9-7-20-18(8-10-28-20)19(23)13-27-17-6-4-5-16(22)11-17/h4-6,8,10-11,14,19H,7,9,12-13H2,1-3H3
InChIKeyLEZDJOCASZWZEO-UHFFFAOYSA-N
XLogP3.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

RU-Ski 43
CID 46006640
1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
CID 2739545
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512098
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide (CID 42837774) is N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide is CC(=O)N(CC(=O)N1CCc2sccc2C1COc1cccc(F)c1)C(C)C.
What is the InChIKey of N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is LEZDJOCASZWZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-14(2)24(15(3)25)12-21(26)23-9-7-20-18(8-10-28-20)19(23)13-27-17-6-4-5-16(22)11-17/h4-6,8,10-11,14,19H,7,9,12-13H2,1-3H3.
What are the key properties of N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 42837774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).