(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide

C18H20F2N2O3S — CID 87040432

IUPAC(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20F2N2O3S/c1-12(21-26(24,25)15-7-5-4-6-8-15)18(23)22(3)13(2)16-11-14(19)9-10-17(16)20/h4-13,21H,1-3H3/t12-,13?/m0/s1
InChIKeyQKJOBHZZQBWMRG-UEWDXFNNSA-N
MW382.43 g/mol
LogP2.85
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide

(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide (PubChem CID 87040432) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide
PubChem CID87040432
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20F2N2O3S/c1-12(21-26(24,25)15-7-5-4-6-8-15)18(23)22(3)13(2)16-11-14(19)9-10-17(16)20/h4-13,21H,1-3H3/t12-,13?/m0/s1
InChIKeyQKJOBHZZQBWMRG-UEWDXFNNSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 86925802
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
(2R)-2-(benzenesulfonamido)propanamide
CID 970705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide (CID 87040432) is (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide is CC(c1cc(F)ccc1F)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is QKJOBHZZQBWMRG-UEWDXFNNSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-12(21-26(24,25)15-7-5-4-6-8-15)18(23)22(3)13(2)16-11-14(19)9-10-17(16)20/h4-13,21H,1-3H3/t12-,13?/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide?
(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 382.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 87040432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).