N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide

C17H20N2O3S2 — CID 100537759

IUPACN-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1NC(C)=O
InChIInChI=1S/C17H20N2O3S2/c1-12-6-4-5-7-14(12)11-18-24(21,22)15-8-9-17(23-3)16(10-15)19-13(2)20/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyJLXNVSGMKGOMLN-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.15
Rot. Bonds6

About N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100537759) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100537759
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1NC(C)=O
InChIInChI=1S/C17H20N2O3S2/c1-12-6-4-5-7-14(12)11-18-24(21,22)15-8-9-17(23-3)16(10-15)19-13(2)20/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyJLXNVSGMKGOMLN-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100565594
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133235759
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
2-methyl-N-[2-methylsulfanyl-5-[(2,3,4-trimethoxyphenyl)methylsulfamoyl]phenyl]propanamide
CID 100601444
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
CID 100732898
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133250877

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100537759) is N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1NC(C)=O.
What is the InChIKey of N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is JLXNVSGMKGOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-6-4-5-7-14(12)11-18-24(21,22)15-8-9-17(23-3)16(10-15)19-13(2)20/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100537759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).