N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide

C23H22F2N2O3S — CID 55469182

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide
SMILESO=C(CNC(Cc1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C23H22F2N2O3S/c24-23(25)31(29,30)20-13-11-19(12-14-20)27-22(28)16-26-21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21,23,26H,15-16H2,(H,27,28)
InChIKeyKMYMUCXLPKAETB-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.20
Rot. Bonds9

About N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide (PubChem CID 55469182) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide
PubChem CID55469182
Molecular FormulaC23H22F2N2O3S
Molecular Weight444.50 g/mol
Exact Mass444.13
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide
SMILESO=C(CNC(Cc1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C23H22F2N2O3S/c24-23(25)31(29,30)20-13-11-19(12-14-20)27-22(28)16-26-21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21,23,26H,15-16H2,(H,27,28)
InChIKeyKMYMUCXLPKAETB-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 16561654
2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 42041858
2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
CID 60708142
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55935902
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34067099
2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511
N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
CID 135320602
N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide
CID 62837560
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
2-[2-(1,2-diphenylethylamino)ethylsulfonyl]acetic acid
CID 122099745

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide (CID 55469182) is N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide is O=C(CNC(Cc1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide?
The InChIKey is KMYMUCXLPKAETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c24-23(25)31(29,30)20-13-11-19(12-14-20)27-22(28)16-26-21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21,23,26H,15-16H2,(H,27,28).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide has a molecular weight of 444.50 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide is sourced from PubChem (CID 55469182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).