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

C19H24FN3O3S — CID 9100034

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-4-23(5-2)27(25,26)17-10-8-15(9-11-17)22-19(24)13-21-16-7-6-14(3)18(20)12-16/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyYCFVIFGVXQOLNY-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.22
Rot. Bonds8

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

N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide (PubChem CID 9100034) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
PubChem CID9100034
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-4-23(5-2)27(25,26)17-10-8-15(9-11-17)22-19(24)13-21-16-7-6-14(3)18(20)12-16/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyYCFVIFGVXQOLNY-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
2-(3-chloro-2-methylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9099238
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 29479540

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide (CID 9100034) is N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide?
The InChIKey is YCFVIFGVXQOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-4-23(5-2)27(25,26)17-10-8-15(9-11-17)22-19(24)13-21-16-7-6-14(3)18(20)12-16/h6-12,21H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide has a molecular weight of 393.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 9100034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).