N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide

C16H17NO3S2 — CID 110439326

IUPACN-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C16H17NO3S2/c1-21-14-8-5-7-13(11-14)17-16(18)10-12-6-3-4-9-15(12)22(2,19)20/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyHPMPJULTQQPSAA-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.99
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide

N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 110439326) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
PubChem CID110439326
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C16H17NO3S2/c1-21-14-8-5-7-13(11-14)17-16(18)10-12-6-3-4-9-15(12)22(2,19)20/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyHPMPJULTQQPSAA-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18084982
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439305
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2685582
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide (CID 110439326) is N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide is CSc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is HPMPJULTQQPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-21-14-8-5-7-13(11-14)17-16(18)10-12-6-3-4-9-15(12)22(2,19)20/h3-9,11H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110439326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).