N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

C24H26FN3O3S — CID 24818233

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(c3ccccc3)N(C)C)cc2)ccc1F
InChIInChI=1S/C24H26FN3O3S/c1-17-15-21(13-14-22(17)25)32(30,31)27-20-11-9-19(10-12-20)24(29)26-16-23(28(2)3)18-7-5-4-6-8-18/h4-15,23,27H,16H2,1-3H3,(H,26,29)
InChIKeyWNVKPOUWLLGNSR-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.97
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (PubChem CID 24818233) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
PubChem CID24818233
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(c3ccccc3)N(C)C)cc2)ccc1F
InChIInChI=1S/C24H26FN3O3S/c1-17-15-21(13-14-22(17)25)32(30,31)27-20-11-9-19(10-12-20)24(29)26-16-23(28(2)3)18-7-5-4-6-8-18/h4-15,23,27H,16H2,1-3H3,(H,26,29)
InChIKeyWNVKPOUWLLGNSR-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24544277
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 25335428
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120833202
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-(3-amino-2-methylpropyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119995158
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55370304
4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide
CID 112982261
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 4969477
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (CID 24818233) is N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(c3ccccc3)N(C)C)cc2)ccc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The InChIKey is WNVKPOUWLLGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-17-15-21(13-14-22(17)25)32(30,31)27-20-11-9-19(10-12-20)24(29)26-16-23(28(2)3)18-7-5-4-6-8-18/h4-15,23,27H,16H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide has a molecular weight of 455.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24818233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).