N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide

C16H19N3O5S2 — CID 8523585

IUPACN-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C16H19N3O5S2/c1-11-4-5-12(2)16(10-11)26(23,24)19-18-25(21,22)15-8-6-14(7-9-15)17-13(3)20/h4-10,18-19H,1-3H3,(H,17,20)
InChIKeyBYJGFNCYXVYFJZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.43
Rot. Bonds6

About N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide

N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide (PubChem CID 8523585) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
PubChem CID8523585
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C16H19N3O5S2/c1-11-4-5-12(2)16(10-11)26(23,24)19-18-25(21,22)15-8-6-14(7-9-15)17-13(3)20/h4-10,18-19H,1-3H3,(H,17,20)
InChIKeyBYJGFNCYXVYFJZ-UHFFFAOYSA-N
XLogP1.43
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500666
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
CID 2205372
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide (CID 8523585) is N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide?
The InChIKey is BYJGFNCYXVYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-11-4-5-12(2)16(10-11)26(23,24)19-18-25(21,22)15-8-6-14(7-9-15)17-13(3)20/h4-10,18-19H,1-3H3,(H,17,20).
What are the key properties of N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 8523585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).