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

C18H22FN3O3S — CID 29455429

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1F
InChIInChI=1S/C18H22FN3O3S/c1-13-8-9-15(10-16(13)19)20-12-18(23)21-11-14-6-4-5-7-17(14)26(24,25)22(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyZNCICBUMJQNFQB-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.11
Rot. Bonds7

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

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide (PubChem CID 29455429) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
PubChem CID29455429
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1F
InChIInChI=1S/C18H22FN3O3S/c1-13-8-9-15(10-16(13)19)20-12-18(23)21-11-14-6-4-5-7-17(14)26(24,25)22(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyZNCICBUMJQNFQB-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
CID 55540372
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine
CID 111847287
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine
CID 111846887
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
3-(3-chloro-4-methylphenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 18140580
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
CID 55865470

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide (CID 29455429) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1F.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide?
The InChIKey is ZNCICBUMJQNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-13-8-9-15(10-16(13)19)20-12-18(23)21-11-14-6-4-5-7-17(14)26(24,25)22(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 29455429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).