2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide

C21H27FN2O4S — CID 30249527

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)(C)CC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN2O4S/c1-5-21(3,4)23-20(25)15-24(17-9-11-18(12-10-17)28-6-2)29(26,27)19-13-7-16(22)8-14-19/h7-14H,5-6,15H2,1-4H3,(H,23,25)
InChIKeySGHJUKNMISXTLY-UHFFFAOYSA-N
MW422.52 g/mol
LogP3.72
Rot. Bonds9

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 30249527) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID30249527
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)(C)CC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN2O4S/c1-5-21(3,4)23-20(25)15-24(17-9-11-18(12-10-17)28-6-2)29(26,27)19-13-7-16(22)8-14-19/h7-14H,5-6,15H2,1-4H3,(H,23,25)
InChIKeySGHJUKNMISXTLY-UHFFFAOYSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30255712
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4551871
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide (CID 30249527) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide is CCOc1ccc(N(CC(=O)NC(C)(C)CC)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is SGHJUKNMISXTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-5-21(3,4)23-20(25)15-24(17-9-11-18(12-10-17)28-6-2)29(26,27)19-13-7-16(22)8-14-19/h7-14H,5-6,15H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 422.52 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 30249527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).