N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

C19H24N2O3S2 — CID 100621008

IUPACN-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)C(C)C
InChIInChI=1S/C19H24N2O3S2/c1-12(2)19(22)20-17-11-15(9-10-18(17)25-5)26(23,24)21-16-8-6-7-13(3)14(16)4/h6-12,21H,1-5H3,(H,20,22)
InChIKeyXBSDOUJABYJZAL-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.42
Rot. Bonds6

About N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (PubChem CID 100621008) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
PubChem CID100621008
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)C(C)C
InChIInChI=1S/C19H24N2O3S2/c1-12(2)19(22)20-17-11-15(9-10-18(17)25-5)26(23,24)21-16-8-6-7-13(3)14(16)4/h6-12,21H,1-5H3,(H,20,22)
InChIKeyXBSDOUJABYJZAL-UHFFFAOYSA-N
XLogP4.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133235759
2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100747184
2-methyl-N-[2-methylsulfanyl-5-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]propanamide
CID 100508449
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
CID 100732898

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (CID 100621008) is N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is CSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The InChIKey is XBSDOUJABYJZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-12(2)19(22)20-17-11-15(9-10-18(17)25-5)26(23,24)21-16-8-6-7-13(3)14(16)4/h6-12,21H,1-5H3,(H,20,22).
What are the key properties of N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide has a molecular weight of 392.55 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 100621008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).