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

C22H20F2N2O3S — CID 30263745

IUPAC2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-16-4-2-3-5-17(16)14-25-22(27)15-26(20-10-6-18(23)7-11-20)30(28,29)21-12-8-19(24)9-13-21/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyDABUKYRKKDROLB-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.78
Rot. Bonds7

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

2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 30263745) 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-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID30263745
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-16-4-2-3-5-17(16)14-25-22(27)15-26(20-10-6-18(23)7-11-20)30(28,29)21-12-8-19(24)9-13-21/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyDABUKYRKKDROLB-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

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1118203
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1009965
N-[(2-methylphenyl)methyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1339113
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 30263745) is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is DABUKYRKKDROLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-16-4-2-3-5-17(16)14-25-22(27)15-26(20-10-6-18(23)7-11-20)30(28,29)21-12-8-19(24)9-13-21/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-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-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 30263745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).