3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide

C23H24FN3O3S — CID 55891636

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2F)n1
InChIInChI=1S/C23H24FN3O3S/c1-15-12-16(2)27(26-15)22-9-7-19(14-21(22)24)25-23(28)10-11-31(29,30)20-8-6-17-4-3-5-18(17)13-20/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,28)
InChIKeyGXJYTEYJMOBDDD-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.92
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide (PubChem CID 55891636) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
PubChem CID55891636
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2F)n1
InChIInChI=1S/C23H24FN3O3S/c1-15-12-16(2)27(26-15)22-9-7-19(14-21(22)24)25-23(28)10-11-31(29,30)20-8-6-17-4-3-5-18(17)13-20/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,28)
InChIKeyGXJYTEYJMOBDDD-UHFFFAOYSA-N
XLogP3.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide
CID 55817763
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55950292
N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938219
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20855778
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55991390
2-[(4-cyanophenyl)methylsulfonyl]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 55892666
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
CID 55950802
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide (CID 55891636) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide is Cc1cc(C)n(-c2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2F)n1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
The InChIKey is GXJYTEYJMOBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-15-12-16(2)27(26-15)22-9-7-19(14-21(22)24)25-23(28)10-11-31(29,30)20-8-6-17-4-3-5-18(17)13-20/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,28).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide has a molecular weight of 441.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide is sourced from PubChem (CID 55891636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).