(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide

C16H19N3O3S2 — CID 40792740

IUPAC(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H19N3O3S2/c1-12(23-15-9-4-5-10-17-15)16(20)18-13-7-6-8-14(11-13)24(21,22)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIPPQUPPRUJKPBK-GFCCVEGCSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds6

About (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 40792740) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID40792740
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H19N3O3S2/c1-12(23-15-9-4-5-10-17-15)16(20)18-13-7-6-8-14(11-13)24(21,22)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIPPQUPPRUJKPBK-GFCCVEGCSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553941
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
CID 29406124
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
CID 46367328
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 95568221
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide (CID 40792740) is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide is C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is IPPQUPPRUJKPBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12(23-15-9-4-5-10-17-15)16(20)18-13-7-6-8-14(11-13)24(21,22)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 40792740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).