(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide

C17H19FN2O3S2 — CID 7553941

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19FN2O3S2/c1-12(24-15-9-7-13(18)8-10-15)17(21)19-14-5-4-6-16(11-14)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyGAYVPJBXJUBSKY-LBPRGKRZSA-N
MW382.48 g/mol
LogP3.20
Rot. Bonds6

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7553941) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7553941
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19FN2O3S2/c1-12(24-15-9-7-13(18)8-10-15)17(21)19-14-5-4-6-16(11-14)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyGAYVPJBXJUBSKY-LBPRGKRZSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 40741893
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 95568221
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553681
2-(4-bromophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)propanamide
CID 86971404
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
(2S)-2-(1-adamantylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8513429
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide (CID 7553941) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide is C[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is GAYVPJBXJUBSKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-12(24-15-9-7-13(18)8-10-15)17(21)19-14-5-4-6-16(11-14)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 382.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7553941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).