(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H19FN2O3S2 — CID 8740673

IUPAC(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O3S2/c1-12(24-15-6-4-14(18)5-7-15)17(21)20-11-10-13-2-8-16(9-3-13)25(19,22)23/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)/t12-/m1/s1
InChIKeyUDEUSEZPXCVKRX-GFCCVEGCSA-N
MW382.48 g/mol
LogP2.31
Rot. Bonds7

About (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 8740673) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID8740673
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O3S2/c1-12(24-15-6-4-14(18)5-7-15)17(21)20-11-10-13-2-8-16(9-3-13)25(19,22)23/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)/t12-/m1/s1
InChIKeyUDEUSEZPXCVKRX-GFCCVEGCSA-N
XLogP2.31
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 9378546
1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 31900966
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 9379504
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 8740673) is (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is C[C@@H](Sc1ccc(F)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is UDEUSEZPXCVKRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-12(24-15-6-4-14(18)5-7-15)17(21)20-11-10-13-2-8-16(9-3-13)25(19,22)23/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,19,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 382.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 8740673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).