3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C19H24N2O3S2 — CID 8638441

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C19H24N2O3S2/c1-14-5-8-17(13-15(14)2)25-12-11-19(22)20-16-6-9-18(10-7-16)26(23,24)21(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyWADFGMVNORLFJL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.67
Rot. Bonds7

About 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 8638441) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID8638441
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C19H24N2O3S2/c1-14-5-8-17(13-15(14)2)25-12-11-19(22)20-16-6-9-18(10-7-16)26(23,24)21(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyWADFGMVNORLFJL-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 2082690
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890099
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257534
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
3-(3,4-dimethylphenyl)sulfanyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145471

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 8638441) is 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide is Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is WADFGMVNORLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-5-8-17(13-15(14)2)25-12-11-19(22)20-16-6-9-18(10-7-16)26(23,24)21(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 392.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 8638441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).