2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H20N2O3S2 — CID 2572033

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1cccc(CSCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-3-2-4-15(9-13)11-23-12-17(20)19-10-14-5-7-16(8-6-14)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyYFJSYMAFVYHNJV-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.19
Rot. Bonds7

About 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 2572033) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID2572033
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1cccc(CSCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-3-2-4-15(9-13)11-23-12-17(20)19-10-14-5-7-16(8-6-14)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyYFJSYMAFVYHNJV-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
4-[2-[(4-Methylsulfanylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719675
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
N-(4-Sulfamoylbenzyl)Pivalamide
CID 4447263
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 2572033) is 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide is Cc1cccc(CSCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is YFJSYMAFVYHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-3-2-4-15(9-13)11-23-12-17(20)19-10-14-5-7-16(8-6-14)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 2572033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).