3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide

C18H22N2O3S2 — CID 78768108

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2O3S2/c1-13-8-9-14(2)17(12-13)25(22,23)19-11-10-18(21)20-15-6-4-5-7-16(15)24-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeySSPHBEZNMXHXMR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.33
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 78768108) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID78768108
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2O3S2/c1-13-8-9-14(2)17(12-13)25(22,23)19-11-10-18(21)20-15-6-4-5-7-16(15)24-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeySSPHBEZNMXHXMR-UHFFFAOYSA-N
XLogP3.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24641233
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 42989426
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 2237130
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001871
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide (CID 78768108) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is SSPHBEZNMXHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-8-9-14(2)17(12-13)25(22,23)19-11-10-18(21)20-15-6-4-5-7-16(15)24-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 78768108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).