2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C24H22F2N2O4S — CID 4822610

IUPAC2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F2N2O4S/c1-17(29)20-6-12-23(13-7-20)33(31,32)28(15-19-4-10-22(26)11-5-19)16-24(30)27-14-18-2-8-21(25)9-3-18/h2-13H,14-16H2,1H3,(H,27,30)
InChIKeyHKWNIWHVLFGHGM-UHFFFAOYSA-N
MW472.51 g/mol
LogP3.67
Rot. Bonds9

About 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4822610) has the molecular formula C24H22F2N2O4S and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4822610
Molecular FormulaC24H22F2N2O4S
Molecular Weight472.51 g/mol
Exact Mass472.13
IUPAC Name2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F2N2O4S/c1-17(29)20-6-12-23(13-7-20)33(31,32)28(15-19-4-10-22(26)11-5-19)16-24(30)27-14-18-2-8-21(25)9-3-18/h2-13H,14-16H2,1H3,(H,27,30)
InChIKeyHKWNIWHVLFGHGM-UHFFFAOYSA-N
XLogP3.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 4789133
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874524
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
4-acetyl-N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 17445784
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4787744
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874406
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28546581

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4822610) is 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HKWNIWHVLFGHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4S/c1-17(29)20-6-12-23(13-7-20)33(31,32)28(15-19-4-10-22(26)11-5-19)16-24(30)27-14-18-2-8-21(25)9-3-18/h2-13H,14-16H2,1H3,(H,27,30).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 472.51 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4822610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).