N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide

C20H23FN4O5S — CID 26453659

IUPACN-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23FN4O5S/c1-23(14-20(26)22-16-7-5-6-15(21)12-16)18-9-8-17(13-19(18)25(27)28)31(29,30)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,26)
InChIKeyRCCAKZIFLJNJHA-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.98
Rot. Bonds7

About N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide

N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 26453659) has the molecular formula C20H23FN4O5S and a molecular weight of 450.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID26453659
Molecular FormulaC20H23FN4O5S
Molecular Weight450.49 g/mol
Exact Mass450.14
IUPAC NameN-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23FN4O5S/c1-23(14-20(26)22-16-7-5-6-15(21)12-16)18-9-8-17(13-19(18)25(27)28)31(29,30)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,26)
InChIKeyRCCAKZIFLJNJHA-UHFFFAOYSA-N
XLogP2.98
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-(N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 25336344
2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 4620773
N-(3-fluorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5172072
2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-1-pyrrolidin-1-ylethanone
CID 24525864
N-methyl-N-(2-methylprop-2-enyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 133439088
N,N-diethyl-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide
CID 9107911
2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 60585244
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 41280060
2-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880
3-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]-2-methylpropanoic acid
CID 122064969
N-(2,6-dichlorophenyl)-2-[N-methyl-2-nitro-4-(trifluoromethylsulfonyl)anilino]acetamide
CID 26454011
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-methyl-2-nitroaniline
CID 18083459

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide (CID 26453659) is N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide is CN(CC(=O)Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is RCCAKZIFLJNJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O5S/c1-23(14-20(26)22-16-7-5-6-15(21)12-16)18-9-8-17(13-19(18)25(27)28)31(29,30)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide?
N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 450.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 26453659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).