N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide

C25H28FN3O3S — CID 46663203

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C25H28FN3O3S/c1-19(21-9-11-22(26)12-10-21)28(2)18-25(30)27-23-13-15-24(16-14-23)33(31,32)29(3)17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,27,30)
InChIKeyCBAJGPSUDBXBOK-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.28
Rot. Bonds9

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide (PubChem CID 46663203) has the molecular formula C25H28FN3O3S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide
PubChem CID46663203
Molecular FormulaC25H28FN3O3S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C25H28FN3O3S/c1-19(21-9-11-22(26)12-10-21)28(2)18-25(30)27-23-13-15-24(16-14-23)33(31,32)29(3)17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,27,30)
InChIKeyCBAJGPSUDBXBOK-UHFFFAOYSA-N
XLogP4.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide (CID 46663203) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide is CC(c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide?
The InChIKey is CBAJGPSUDBXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3S/c1-19(21-9-11-22(26)12-10-21)28(2)18-25(30)27-23-13-15-24(16-14-23)33(31,32)29(3)17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide has a molecular weight of 469.58 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 46663203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).