N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

C20H26FN3O3S — CID 92663731

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H26FN3O3S/c1-14-6-7-15(2)19(12-14)16(3)22-20(25)13-24(28(26,27)23(4)5)18-10-8-17(21)9-11-18/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m0/s1
InChIKeyYBROVFDEISEKPH-INIZCTEOSA-N
MW407.51 g/mol
LogP2.93
Rot. Bonds7

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (PubChem CID 92663731) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
PubChem CID92663731
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H26FN3O3S/c1-14-6-7-15(2)19(12-14)16(3)22-20(25)13-24(28(26,27)23(4)5)18-10-8-17(21)9-11-18/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m0/s1
InChIKeyYBROVFDEISEKPH-INIZCTEOSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217826
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897328
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43899281
N-[1-(2,5-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893919
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 92664046
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30226260
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894949
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249599

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (CID 92663731) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The InChIKey is YBROVFDEISEKPH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-14-6-7-15(2)19(12-14)16(3)22-20(25)13-24(28(26,27)23(4)5)18-10-8-17(21)9-11-18/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is sourced from PubChem (CID 92663731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).