2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide

C20H21FN4O4S — CID 56547178

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
SMILESCc1nc(C(C)(C)NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C20H21FN4O4S/c1-13-22-19(24-29-13)20(2,3)23-18(26)12-14-4-8-16(9-5-14)25-30(27,28)17-10-6-15(21)7-11-17/h4-11,25H,12H2,1-3H3,(H,23,26)
InChIKeyXAYKNAHLCXTDDN-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.91
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide (PubChem CID 56547178) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
PubChem CID56547178
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
SMILESCc1nc(C(C)(C)NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C20H21FN4O4S/c1-13-22-19(24-29-13)20(2,3)23-18(26)12-14-4-8-16(9-5-14)25-30(27,28)17-10-6-15(21)7-11-17/h4-11,25H,12H2,1-3H3,(H,23,26)
InChIKeyXAYKNAHLCXTDDN-UHFFFAOYSA-N
XLogP2.91
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18128241
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 30288758

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide (CID 56547178) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide is Cc1nc(C(C)(C)NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The InChIKey is XAYKNAHLCXTDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-13-22-19(24-29-13)20(2,3)23-18(26)12-14-4-8-16(9-5-14)25-30(27,28)17-10-6-15(21)7-11-17/h4-11,25H,12H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 56547178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).