2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C23H25FN4O3S — CID 51483463

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25FN4O3S/c1-15(18-8-10-20(24)11-9-18)25-22(29)14-27-17(3)23(16(2)26-27)32(30,31)28-13-12-19-6-4-5-7-21(19)28/h4-11,15H,12-14H2,1-3H3,(H,25,29)/t15-/m1/s1
InChIKeyNJYWANVLMRKNIO-OAHLLOKOSA-N
MW456.54 g/mol
LogP3.27
Rot. Bonds6

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 51483463) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID51483463
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25FN4O3S/c1-15(18-8-10-20(24)11-9-18)25-22(29)14-27-17(3)23(16(2)26-27)32(30,31)28-13-12-19-6-4-5-7-21(19)28/h4-11,15H,12-14H2,1-3H3,(H,25,29)/t15-/m1/s1
InChIKeyNJYWANVLMRKNIO-OAHLLOKOSA-N
XLogP3.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17394458
1-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole
CID 9381782
(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95250146
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 126774260
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553982
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555236
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873573
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555210
4-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 17394468
3-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2549677

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 51483463) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is Cc1nn(CC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NJYWANVLMRKNIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-15(18-8-10-20(24)11-9-18)25-22(29)14-27-17(3)23(16(2)26-27)32(30,31)28-13-12-19-6-4-5-7-21(19)28/h4-11,15H,12-14H2,1-3H3,(H,25,29)/t15-/m1/s1.
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 51483463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).