4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

C19H21FN2O2S — CID 984098

IUPAC4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESO=C(Nc1sc2c(c1CN1CCOCC1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2S/c20-14-6-4-13(5-7-14)18(23)21-19-16(12-22-8-10-24-11-9-22)15-2-1-3-17(15)25-19/h4-7H,1-3,8-12H2,(H,21,23)
InChIKeyYPFZTDKFURCWLY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.46
Rot. Bonds4

About 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (PubChem CID 984098) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
PubChem CID984098
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESO=C(Nc1sc2c(c1CN1CCOCC1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2S/c20-14-6-4-13(5-7-14)18(23)21-19-16(12-22-8-10-24-11-9-22)15-2-1-3-17(15)25-19/h4-7H,1-3,8-12H2,(H,21,23)
InChIKeyYPFZTDKFURCWLY-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide with MolForge

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Related Compounds

2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
N-{4,5-dimethyl-3-[(2-methyl-1-piperidinyl)methyl]-2-thienyl}-2-fluorobenzamide
CID 4395058
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324
N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
CID 1204119
N-[4,5-dimethyl-3-(1-piperidinylmethyl)-2-thienyl]-2-fluorobenzamide
CID 852250
2-[(2-Fluorobenzoyl)amino]-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxamide
CID 873021
N-[3-(1-azepanylmethyl)-4,5-dimethyl-2-thienyl]-4-fluorobenzamide
CID 984068
N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide
CID 3542312
3-[3-(4-Fluorophenyl)propyl]-5-morpholin-4-ylthiophene-2-carboxamide
CID 145978826

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (CID 984098) is 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is O=C(Nc1sc2c(c1CN1CCOCC1)CCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The InChIKey is YPFZTDKFURCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-14-6-4-13(5-7-14)18(23)21-19-16(12-22-8-10-24-11-9-22)15-2-1-3-17(15)25-19/h4-7H,1-3,8-12H2,(H,21,23).
What are the key properties of 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide has a molecular weight of 360.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(morpholin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is sourced from PubChem (CID 984098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).