(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide

C17H18F2N2O3S2 — CID 9046565

IUPAC(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H18F2N2O3S2/c1-11(25-16-8-7-12(18)9-15(16)19)17(22)20-13-5-4-6-14(10-13)26(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyDHUXAAKDQDNQNM-NSHDSACASA-N
MW400.47 g/mol
LogP3.33
Rot. Bonds6

About (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide

(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 9046565) has the molecular formula C17H18F2N2O3S2 and a molecular weight of 400.47 g/mol. Its IUPAC name is (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID9046565
Molecular FormulaC17H18F2N2O3S2
Molecular Weight400.47 g/mol
Exact Mass400.07
IUPAC Name(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H18F2N2O3S2/c1-11(25-16-8-7-12(18)9-15(16)19)17(22)20-13-5-4-6-14(10-13)26(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyDHUXAAKDQDNQNM-NSHDSACASA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553941
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
2-(2,4-difluorophenyl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 60597843
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 95568221
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 40741893
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 9046565) is (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide is C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is DHUXAAKDQDNQNM-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F2N2O3S2/c1-11(25-16-8-7-12(18)9-15(16)19)17(22)20-13-5-4-6-14(10-13)26(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 400.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9046565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).