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

C19H24BrN3O3S2 — CID 46400251

IUPAC4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)N1CCc2sccc2C1
InChIInChI=1S/C19H24BrN3O3S2/c1-13(23-8-6-17-15(12-23)7-9-27-17)11-21-19(24)14-4-5-16(20)18(10-14)28(25,26)22(2)3/h4-5,7,9-10,13H,6,8,11-12H2,1-3H3,(H,21,24)
InChIKeyQANHTAPYNFTKRA-UHFFFAOYSA-N
MW486.46 g/mol
LogP2.94
Rot. Bonds6

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

4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 46400251) has the molecular formula C19H24BrN3O3S2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID46400251
Molecular FormulaC19H24BrN3O3S2
Molecular Weight486.46 g/mol
Exact Mass485.04
IUPAC Name4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)N1CCc2sccc2C1
InChIInChI=1S/C19H24BrN3O3S2/c1-13(23-8-6-17-15(12-23)7-9-27-17)11-21-19(24)14-4-5-16(20)18(10-14)28(25,26)22(2)3/h4-5,7,9-10,13H,6,8,11-12H2,1-3H3,(H,21,24)
InChIKeyQANHTAPYNFTKRA-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46400297
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide
CID 46423662
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide
CID 46449340
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5-ethylthiophene-2-carboxamide
CID 51729385
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
CID 120643908
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]-4,5-difluoro-1H-indole-2-carboxamide
CID 166203069
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46400266
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 78860474

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide (CID 46400251) is 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide is CC(CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)N1CCc2sccc2C1.
What is the InChIKey of 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is QANHTAPYNFTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S2/c1-13(23-8-6-17-15(12-23)7-9-27-17)11-21-19(24)14-4-5-16(20)18(10-14)28(25,26)22(2)3/h4-5,7,9-10,13H,6,8,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 486.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 46400251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).