2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide

C22H20F2N2O3S — CID 30272987

IUPAC2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20F2N2O3S/c1-16-3-2-4-17(13-16)14-25-22(27)15-26(20-9-5-18(23)6-10-20)30(28,29)21-11-7-19(24)8-12-21/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyUMSFMCAOLLOBKB-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.78
Rot. Bonds7

About 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 30272987) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID30272987
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20F2N2O3S/c1-16-3-2-4-17(13-16)14-25-22(27)15-26(20-9-5-18(23)6-10-20)30(28,29)21-11-7-19(24)8-12-21/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyUMSFMCAOLLOBKB-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
3-[[[2-(3-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzoic acid
CID 58009575
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 28631760
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302333
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 30272987) is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is UMSFMCAOLLOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-16-3-2-4-17(13-16)14-25-22(27)15-26(20-9-5-18(23)6-10-20)30(28,29)21-11-7-19(24)8-12-21/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 30272987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).