2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide

C18H21FN2O4S — CID 43872766

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-25-16-8-10-17(11-9-16)26(23,24)21-13(2)18(22)20-12-14-4-6-15(19)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyLUGZTWRCKOTRCS-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.21
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 43872766) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID43872766
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-25-16-8-10-17(11-9-16)26(23,24)21-13(2)18(22)20-12-14-4-6-15(19)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyLUGZTWRCKOTRCS-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 24625428
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
CID 55939954
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide (CID 43872766) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is LUGZTWRCKOTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-25-16-8-10-17(11-9-16)26(23,24)21-13(2)18(22)20-12-14-4-6-15(19)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 43872766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).