2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide

C22H30FN3O4S — CID 46764764

IUPAC2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H30FN3O4S/c1-17(2)30-21-13-7-18(8-14-21)6-5-15-24-22(27)16-26(31(28,29)25(3)4)20-11-9-19(23)10-12-20/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyZQKGWIRTOIGLDB-UHFFFAOYSA-N
MW451.56 g/mol
LogP2.97
Rot. Bonds11

About 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 46764764) has the molecular formula C22H30FN3O4S and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID46764764
Molecular FormulaC22H30FN3O4S
Molecular Weight451.56 g/mol
Exact Mass451.19
IUPAC Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H30FN3O4S/c1-17(2)30-21-13-7-18(8-14-21)6-5-15-24-22(27)16-26(31(28,29)25(3)4)20-11-9-19(23)10-12-20/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyZQKGWIRTOIGLDB-UHFFFAOYSA-N
XLogP2.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
N-[3-(4-fluorophenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219422
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 43897807
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30214045
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
2-(2-bromo-N-methylsulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30223937
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (CID 46764764) is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is ZQKGWIRTOIGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O4S/c1-17(2)30-21-13-7-18(8-14-21)6-5-15-24-22(27)16-26(31(28,29)25(3)4)20-11-9-19(23)10-12-20/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,27).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 451.56 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 46764764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).