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

C18H22FN3O3S — CID 26438400

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c(F)c1
InChIInChI=1S/C18H22FN3O3S/c1-12-5-8-16(15(19)9-12)20-11-18(23)21-14-7-6-13(2)17(10-14)26(24,25)22(3)4/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyIBKFNNXWCQOOEH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.74
Rot. Bonds6

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

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide (PubChem CID 26438400) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
PubChem CID26438400
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c(F)c1
InChIInChI=1S/C18H22FN3O3S/c1-12-5-8-16(15(19)9-12)20-11-18(23)21-14-7-6-13(2)17(10-14)26(24,25)22(3)4/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyIBKFNNXWCQOOEH-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689
2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
CID 26438397
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 4847009
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide (CID 26438400) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c(F)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide?
The InChIKey is IBKFNNXWCQOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-5-8-16(15(19)9-12)20-11-18(23)21-14-7-6-13(2)17(10-14)26(24,25)22(3)4/h5-10,20H,11H2,1-4H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 26438400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).