N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide

C12H17N3O4S2 — CID 84553115

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCCN)cc1
InChIInChI=1S/C12H17N3O4S2/c1-9(16)15-21(18,19)11-4-2-10(3-5-11)14-12(17)8-20-7-6-13/h2-5H,6-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyKQXYUYLFMISASW-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.14
Rot. Bonds7

About N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide

N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide (PubChem CID 84553115) has the molecular formula C12H17N3O4S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
PubChem CID84553115
Molecular FormulaC12H17N3O4S2
Molecular Weight331.42 g/mol
Exact Mass331.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCCN)cc1
InChIInChI=1S/C12H17N3O4S2/c1-9(16)15-21(18,19)11-4-2-10(3-5-11)14-12(17)8-20-7-6-13/h2-5H,6-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyKQXYUYLFMISASW-UHFFFAOYSA-N
XLogP0.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 25037986
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
2-(2-aminoethylsulfanyl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 84553428
2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 60575698
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
CID 29136353

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide (CID 84553115) is N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCCN)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide?
The InChIKey is KQXYUYLFMISASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S2/c1-9(16)15-21(18,19)11-4-2-10(3-5-11)14-12(17)8-20-7-6-13/h2-5H,6-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide is sourced from PubChem (CID 84553115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).