2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide

C19H24N2O3S2 — CID 56807991

IUPAC2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
SMILESCC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H24N2O3S2/c1-15(19(22)21(4)17-10-6-5-7-11-17)25-14-16-9-8-12-18(13-16)26(23,24)20(2)3/h5-13,15H,14H2,1-4H3
InChIKeyLMFYJFMZHJNAEL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.22
Rot. Bonds7

About 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide

2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide (PubChem CID 56807991) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
PubChem CID56807991
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
SMILESCC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H24N2O3S2/c1-15(19(22)21(4)17-10-6-5-7-11-17)25-14-16-9-8-12-18(13-16)26(23,24)20(2)3/h5-13,15H,14H2,1-4H3
InChIKeyLMFYJFMZHJNAEL-UHFFFAOYSA-N
XLogP3.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methylpropanamide
CID 94038343
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597
N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 46634049
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56809546
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
CID 43000872
N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
CID 35064015
2-butylsulfanyl-N-methyl-N-phenylpropanamide
CID 78762085
2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylpropanamide
CID 87033416
(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
3-[[3-(dimethylsulfamoyl)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009600
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
2-[[5-[3-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylpropanamide
CID 3927125

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide (CID 56807991) is 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide is CC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide?
The InChIKey is LMFYJFMZHJNAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15(19(22)21(4)17-10-6-5-7-11-17)25-14-16-9-8-12-18(13-16)26(23,24)20(2)3/h5-13,15H,14H2,1-4H3.
What are the key properties of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide?
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide has a molecular weight of 392.55 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 56807991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).