2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide

C20H25FN2O4S — CID 86886855

IUPAC2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide
SMILESCC(C)CCOc1ccc(S(=O)(=O)N(C)C(C(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H25FN2O4S/c1-14(2)11-12-27-17-7-9-18(10-8-17)28(25,26)23(3)19(20(22)24)15-5-4-6-16(21)13-15/h4-10,13-14,19H,11-12H2,1-3H3,(H2,22,24)
InChIKeyQPNCBTWMIYNURG-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.10
Rot. Bonds9

About 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide

2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide (PubChem CID 86886855) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide
PubChem CID86886855
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide
SMILESCC(C)CCOc1ccc(S(=O)(=O)N(C)C(C(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H25FN2O4S/c1-14(2)11-12-27-17-7-9-18(10-8-17)28(25,26)23(3)19(20(22)24)15-5-4-6-16(21)13-15/h4-10,13-14,19H,11-12H2,1-3H3,(H2,22,24)
InChIKeyQPNCBTWMIYNURG-UHFFFAOYSA-N
XLogP3.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
CID 56566186
2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 86886859
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
4-(3-methylbutoxy)benzenesulfonyl fluoride
CID 165461294
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 56566598
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133240541
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide
CID 56566627
2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
CID 97254165
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-[4-(3-methylbutoxy)phenyl]sulfonylethyl acetate
CID 151914028
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
4,4-bis(3-fluorophenyl)-2-oxobutanamide
CID 59093514

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide (CID 86886855) is 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide is CC(C)CCOc1ccc(S(=O)(=O)N(C)C(C(N)=O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is QPNCBTWMIYNURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-14(2)11-12-27-17-7-9-18(10-8-17)28(25,26)23(3)19(20(22)24)15-5-4-6-16(21)13-15/h4-10,13-14,19H,11-12H2,1-3H3,(H2,22,24).
What are the key properties of 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide?
2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[methyl-[4-(3-methylbutoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 86886855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).