N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C18H20FN3O4S — CID 24683122

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-3-20-17(23)12(2)21-18(24)15-6-4-5-7-16(15)22-27(25,26)14-10-8-13(19)9-11-14/h4-12,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZXLSHGOFFAJHTQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.88
Rot. Bonds7

About N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 24683122) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID24683122
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-3-20-17(23)12(2)21-18(24)15-6-4-5-7-16(15)22-27(25,26)14-10-8-13(19)9-11-14/h4-12,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZXLSHGOFFAJHTQ-UHFFFAOYSA-N
XLogP1.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 24639279
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 39964889
2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 34556664
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 7744842

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 24683122) is N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is CCNC(=O)C(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is ZXLSHGOFFAJHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-3-20-17(23)12(2)21-18(24)15-6-4-5-7-16(15)22-27(25,26)14-10-8-13(19)9-11-14/h4-12,22H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 393.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24683122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).