4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide

C20H23BrN2O2S — CID 46449340

IUPAC4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide
SMILESCC(CNC(=O)CCC(=O)c1ccc(Br)cc1)N1CCc2sccc2C1
InChIInChI=1S/C20H23BrN2O2S/c1-14(23-10-8-19-16(13-23)9-11-26-19)12-22-20(25)7-6-18(24)15-2-4-17(21)5-3-15/h2-5,9,11,14H,6-8,10,12-13H2,1H3,(H,22,25)
InChIKeyGYRCHIGPHDSSRA-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.04
Rot. Bonds7

About 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide

4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide (PubChem CID 46449340) has the molecular formula C20H23BrN2O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide
PubChem CID46449340
Molecular FormulaC20H23BrN2O2S
Molecular Weight435.39 g/mol
Exact Mass434.07
IUPAC Name4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide
SMILESCC(CNC(=O)CCC(=O)c1ccc(Br)cc1)N1CCc2sccc2C1
InChIInChI=1S/C20H23BrN2O2S/c1-14(23-10-8-19-16(13-23)9-11-26-19)12-22-20(25)7-6-18(24)15-2-4-17(21)5-3-15/h2-5,9,11,14H,6-8,10,12-13H2,1H3,(H,22,25)
InChIKeyGYRCHIGPHDSSRA-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94095207
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 75493563
4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 46400251
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454576
ethyl 4-[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164307
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 46400419
N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 94112899
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 46414237
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide (CID 46449340) is 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide is CC(CNC(=O)CCC(=O)c1ccc(Br)cc1)N1CCc2sccc2C1.
What is the InChIKey of 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide?
The InChIKey is GYRCHIGPHDSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2S/c1-14(23-10-8-19-16(13-23)9-11-26-19)12-22-20(25)7-6-18(24)15-2-4-17(21)5-3-15/h2-5,9,11,14H,6-8,10,12-13H2,1H3,(H,22,25).
What are the key properties of 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide?
4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide has a molecular weight of 435.39 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide is sourced from PubChem (CID 46449340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).