2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide

C18H19FN2O2S2 — CID 30455222

IUPAC2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESC[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C18H19FN2O2S2/c1-12(18(23)21-8-6-16-13(10-21)7-9-24-16)25-11-17(22)20-15-4-2-14(19)3-5-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyPRNMIBBPKAHGOL-GFCCVEGCSA-N
MW378.49 g/mol
LogP3.53
Rot. Bonds5

About 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 30455222) has the molecular formula C18H19FN2O2S2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID30455222
Molecular FormulaC18H19FN2O2S2
Molecular Weight378.49 g/mol
Exact Mass378.09
IUPAC Name2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESC[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C18H19FN2O2S2/c1-12(18(23)21-8-6-16-13(10-21)7-9-24-16)25-11-17(22)20-15-4-2-14(19)3-5-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyPRNMIBBPKAHGOL-GFCCVEGCSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55811669
N-(4-fluorophenyl)-2-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide;hydrochloride
CID 119546108
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 55372552
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
2-[1-(3-anilinopyrrolidin-1-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 56580966
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 51157929
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46442127
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 51153751

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 30455222) is 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide is C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is PRNMIBBPKAHGOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN2O2S2/c1-12(18(23)21-8-6-16-13(10-21)7-9-24-16)25-11-17(22)20-15-4-2-14(19)3-5-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 378.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30455222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).