2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C17H16FN3O3S — CID 9410013

IUPAC2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c1-12(13-6-8-15(18)9-7-13)21-17(22)11-20-25(23,24)16-5-3-2-4-14(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyIZMVUNXCXOAAGU-GFCCVEGCSA-N
MW361.40 g/mol
LogP1.85
Rot. Bonds6

About 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 9410013) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID9410013
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c1-12(13-6-8-15(18)9-7-13)21-17(22)11-20-25(23,24)16-5-3-2-4-14(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyIZMVUNXCXOAAGU-GFCCVEGCSA-N
XLogP1.85
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937621
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 26918184
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 9458294
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
N-(3-chloro-2-fluorophenyl)-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9146475
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
CID 9293998

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 9410013) is 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is IZMVUNXCXOAAGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-12(13-6-8-15(18)9-7-13)21-17(22)11-20-25(23,24)16-5-3-2-4-14(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 9410013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).