N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide

C19H24N2O3S2 — CID 78794208

IUPACN-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-20-26(23,24)18-11-6-15(7-12-18)8-13-19(22)21(2)14-16-4-9-17(25-3)10-5-16/h4-7,9-12,20H,8,13-14H2,1-3H3
InChIKeyHGICUFJANVGPTH-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.91
Rot. Bonds8

About N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide

N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide (PubChem CID 78794208) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
PubChem CID78794208
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-20-26(23,24)18-11-6-15(7-12-18)8-13-19(22)21(2)14-16-4-9-17(25-3)10-5-16/h4-7,9-12,20H,8,13-14H2,1-3H3
InChIKeyHGICUFJANVGPTH-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 39756672
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26994681
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24515240

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The IUPAC name of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide (CID 78794208) is N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The canonical SMILES for N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(SC)cc2)cc1.
What is the InChIKey of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The InChIKey is HGICUFJANVGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-20-26(23,24)18-11-6-15(7-12-18)8-13-19(22)21(2)14-16-4-9-17(25-3)10-5-16/h4-7,9-12,20H,8,13-14H2,1-3H3.
What are the key properties of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide?
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide has a molecular weight of 392.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 78794208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).