N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide

C19H20F2N2O3S — CID 55534372

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCc2ccccc21
InChIInChI=1S/C19H20F2N2O3S/c1-23(17-11-6-13-4-2-3-5-16(13)17)12-18(24)22-14-7-9-15(10-8-14)27(25,26)19(20)21/h2-5,7-10,17,19H,6,11-12H2,1H3,(H,22,24)
InChIKeyCWHJJTYSBVHLFE-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.24
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide (PubChem CID 55534372) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
PubChem CID55534372
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCc2ccccc21
InChIInChI=1S/C19H20F2N2O3S/c1-23(17-11-6-13-4-2-3-5-16(13)17)12-18(24)22-14-7-9-15(10-8-14)27(25,26)19(20)21/h2-5,7-10,17,19H,6,11-12H2,1H3,(H,22,24)
InChIKeyCWHJJTYSBVHLFE-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55533983
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 36674496
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 134043135
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36679237
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 9261119
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 47147183

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide (CID 55534372) is N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCc2ccccc21.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide?
The InChIKey is CWHJJTYSBVHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-23(17-11-6-13-4-2-3-5-16(13)17)12-18(24)22-14-7-9-15(10-8-14)27(25,26)19(20)21/h2-5,7-10,17,19H,6,11-12H2,1H3,(H,22,24).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide has a molecular weight of 394.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide is sourced from PubChem (CID 55534372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).