2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide

C11H16N2O3S2 — CID 100660836

IUPAC2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
SMILESCSc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)C
InChIInChI=1S/C11H16N2O3S2/c1-7(2)11(14)13-9-6-8(18(12,15)16)4-5-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeyLUZFJPXXJIBEJQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.65
Rot. Bonds4

About 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide

2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide (PubChem CID 100660836) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
PubChem CID100660836
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
SMILESCSc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)C
InChIInChI=1S/C11H16N2O3S2/c1-7(2)11(14)13-9-6-8(18(12,15)16)4-5-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeyLUZFJPXXJIBEJQ-UHFFFAOYSA-N
XLogP1.65
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100747184
N-[5-[(2-methoxyphenyl)methyl-methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100768809
2-methyl-N-[2-methylsulfanyl-5-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]propanamide
CID 100508449
2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133235759
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
2-methyl-N-[2-methylsulfanyl-5-[(2,3,4-trimethoxyphenyl)methylsulfamoyl]phenyl]propanamide
CID 100601444
N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100545643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide (CID 100660836) is 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide is CSc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide?
The InChIKey is LUZFJPXXJIBEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7(2)11(14)13-9-6-8(18(12,15)16)4-5-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide?
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 100660836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).