2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

C18H22N2O3S2 — CID 9141313

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1
InChIInChI=1S/C18H22N2O3S2/c1-11-5-6-12(2)17(7-11)24-10-18(21)20-16-9-15(25(19,22)23)8-13(3)14(16)4/h5-9H,10H2,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeyWKHABWOMOYKTMS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.30
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (PubChem CID 9141313) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
PubChem CID9141313
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1
InChIInChI=1S/C18H22N2O3S2/c1-11-5-6-12(2)17(7-11)24-10-18(21)20-16-9-15(25(19,22)23)8-13(3)14(16)4/h5-9H,10H2,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeyWKHABWOMOYKTMS-UHFFFAOYSA-N
XLogP3.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9141642
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55366896
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55363757
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
CID 9257647
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (CID 9141313) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is Cc1ccc(C)c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The InChIKey is WKHABWOMOYKTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-11-5-6-12(2)17(7-11)24-10-18(21)20-16-9-15(25(19,22)23)8-13(3)14(16)4/h5-9H,10H2,1-4H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9141313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).