2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide

C20H26FN3O3S — CID 9100235

IUPAC2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C20H26FN3O3S/c1-5-24(6-2)28(26,27)17-10-8-15(4)19(12-17)22-13-20(25)23-16-9-7-14(3)18(21)11-16/h7-12,22H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyALQGXKSEYMVTNO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.52
Rot. Bonds8

About 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9100235) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9100235
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC Name2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C20H26FN3O3S/c1-5-24(6-2)28(26,27)17-10-8-15(4)19(12-17)22-13-20(25)23-16-9-7-14(3)18(21)11-16/h7-12,22H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyALQGXKSEYMVTNO-UHFFFAOYSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 9100235) is 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is ALQGXKSEYMVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-5-24(6-2)28(26,27)17-10-8-15(4)19(12-17)22-13-20(25)23-16-9-7-14(3)18(21)11-16/h7-12,22H,5-6,13H2,1-4H3,(H,23,25).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9100235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).