N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide

C15H24FN3O3S — CID 56803786

IUPACN-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)C(C)NS(C)(=O)=O)cc1F
InChIInChI=1S/C15H24FN3O3S/c1-5-19(6-2)14-8-7-12(9-13(14)16)10-17-15(20)11(3)18-23(4,21)22/h7-9,11,18H,5-6,10H2,1-4H3,(H,17,20)
InChIKeyKHPMHSUGJBMIIV-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.23
Rot. Bonds8

About N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide

N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide (PubChem CID 56803786) has the molecular formula C15H24FN3O3S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide
PubChem CID56803786
Molecular FormulaC15H24FN3O3S
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)C(C)NS(C)(=O)=O)cc1F
InChIInChI=1S/C15H24FN3O3S/c1-5-19(6-2)14-8-7-12(9-13(14)16)10-17-15(20)11(3)18-23(4,21)22/h7-9,11,18H,5-6,10H2,1-4H3,(H,17,20)
InChIKeyKHPMHSUGJBMIIV-UHFFFAOYSA-N
XLogP1.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111833103
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
1-butan-2-yl-3-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-methylguanidine;hydroiodide
CID 111545002
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428297
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 27658928
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 100660301
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-tert-butylphenyl)methyl]-2-[4-[ethyl(methylsulfonyl)amino]-3-fluorophenyl]propanamide
CID 140531118
N-[[4-(diethylamino)phenyl]methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 133228197

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide (CID 56803786) is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide is CCN(CC)c1ccc(CNC(=O)C(C)NS(C)(=O)=O)cc1F.
What is the InChIKey of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide?
The InChIKey is KHPMHSUGJBMIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S/c1-5-19(6-2)14-8-7-12(9-13(14)16)10-17-15(20)11(3)18-23(4,21)22/h7-9,11,18H,5-6,10H2,1-4H3,(H,17,20).
What are the key properties of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide?
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 56803786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).