2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

C20H29F2N3O3S — CID 70693714

IUPAC2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CCc3c2ccc(F)c3F)CC1
InChIInChI=1S/C20H29F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-15(6-4-14)24-19(26)12-25-10-9-16-18(25)8-7-17(21)20(16)22/h7-8,13-15,23H,3-6,9-12H2,1-2H3,(H,24,26)
InChIKeyDRZHVGVGAVRTRM-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.33
Rot. Bonds7

About 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (PubChem CID 70693714) has the molecular formula C20H29F2N3O3S and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
PubChem CID70693714
Molecular FormulaC20H29F2N3O3S
Molecular Weight429.53 g/mol
Exact Mass429.19
IUPAC Name2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CCc3c2ccc(F)c3F)CC1
InChIInChI=1S/C20H29F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-15(6-4-14)24-19(26)12-25-10-9-16-18(25)8-7-17(21)20(16)22/h7-8,13-15,23H,3-6,9-12H2,1-2H3,(H,24,26)
InChIKeyDRZHVGVGAVRTRM-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
2-(5-chloro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 57345520
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471950
N~1~-(4-fluorophenyl)-N~2~-(2-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 801874
N~2~-(4-fluorophenyl)-N~1~-(2-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 846451
2-[(2-Fluoro-phenyl)-methanesulfonyl-amino]-N-(1-phenyl-ethyl)-acetamide
CID 2888964
2-[Methanesulfonyl-(3-trifluoromethyl-phenyl)-amino]-N-(1-phenyl-ethyl)-acetamide
CID 2890670
N-[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(methylsulfonyl)propyl]acetamide
CID 3238822
N~1~-benzyl-N~2~-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]valinamide
CID 3241219
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3289813

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (CID 70693714) is 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is CC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2CCc3c2ccc(F)c3F)CC1.
What is the InChIKey of 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The InChIKey is DRZHVGVGAVRTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-15(6-4-14)24-19(26)12-25-10-9-16-18(25)8-7-17(21)20(16)22/h7-8,13-15,23H,3-6,9-12H2,1-2H3,(H,24,26).
What are the key properties of 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide has a molecular weight of 429.53 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 70693714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).