N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C22H28FN3O4S — CID 24640053

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H28FN3O4S/c1-26(2)21(17-5-3-6-18(23)13-17)15-24-22(27)16-8-10-20(11-9-16)31(28,29)25-14-19-7-4-12-30-19/h3,5-6,8-11,13,19,21,25H,4,7,12,14-15H2,1-2H3,(H,24,27)
InChIKeyLQWFHAQGKCHBDC-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.32
Rot. Bonds9

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24640053) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24640053
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H28FN3O4S/c1-26(2)21(17-5-3-6-18(23)13-17)15-24-22(27)16-8-10-20(11-9-16)31(28,29)25-14-19-7-4-12-30-19/h3,5-6,8-11,13,19,21,25H,4,7,12,14-15H2,1-2H3,(H,24,27)
InChIKeyLQWFHAQGKCHBDC-UHFFFAOYSA-N
XLogP2.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 34962763
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24640055
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24544259
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24640053) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CN(C)C(CNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is LQWFHAQGKCHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c1-26(2)21(17-5-3-6-18(23)13-17)15-24-22(27)16-8-10-20(11-9-16)31(28,29)25-14-19-7-4-12-30-19/h3,5-6,8-11,13,19,21,25H,4,7,12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 449.55 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24640053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).