N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide

C18H20FN3O4S — CID 113061863

IUPACN-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCNS(=O)(=O)c2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13(23)21-16-5-7-17(8-6-16)22(14(2)24)12-11-20-27(25,26)18-9-3-15(19)4-10-18/h3-10,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyBBNQGLODQPZLPE-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.12
Rot. Bonds7

About N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide

N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide (PubChem CID 113061863) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
PubChem CID113061863
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCNS(=O)(=O)c2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13(23)21-16-5-7-17(8-6-16)22(14(2)24)12-11-20-27(25,26)18-9-3-15(19)4-10-18/h3-10,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyBBNQGLODQPZLPE-UHFFFAOYSA-N
XLogP2.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea
CID 42705425
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061867
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide (CID 113061863) is N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CCNS(=O)(=O)c2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide?
The InChIKey is BBNQGLODQPZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-13(23)21-16-5-7-17(8-6-16)22(14(2)24)12-11-20-27(25,26)18-9-3-15(19)4-10-18/h3-10,20H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide?
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide is sourced from PubChem (CID 113061863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).