N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide

C25H28FN3O3S — CID 60537047

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FN3O3S/c1-3-29(4-2)33(31,32)23-16-14-22(15-17-23)28-24(30)18-27-25(19-8-6-5-7-9-19)20-10-12-21(26)13-11-20/h5-17,25,27H,3-4,18H2,1-2H3,(H,28,30)
InChIKeyIFWSESUUSGFZES-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.17
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide (PubChem CID 60537047) has the molecular formula C25H28FN3O3S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
PubChem CID60537047
Molecular FormulaC25H28FN3O3S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FN3O3S/c1-3-29(4-2)33(31,32)23-16-14-22(15-17-23)28-24(30)18-27-25(19-8-6-5-7-9-19)20-10-12-21(26)13-11-20/h5-17,25,27H,3-4,18H2,1-2H3,(H,28,30)
InChIKeyIFWSESUUSGFZES-UHFFFAOYSA-N
XLogP4.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537379
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 60537251
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45372361
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55338825
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide (CID 60537047) is N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
The InChIKey is IFWSESUUSGFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3S/c1-3-29(4-2)33(31,32)23-16-14-22(15-17-23)28-24(30)18-27-25(19-8-6-5-7-9-19)20-10-12-21(26)13-11-20/h5-17,25,27H,3-4,18H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide has a molecular weight of 469.58 g/mol, XLogP of 4.17, 10 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-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 60537047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).