N-[(4-sulfamoylphenyl)carbamothioyl]acetamide

C9H11N3O3S2 — CID 974380

IUPACN-[(4-sulfamoylphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11N3O3S2/c1-6(13)11-9(16)12-7-2-4-8(5-3-7)17(10,14)15/h2-5H,1H3,(H2,10,14,15)(H2,11,12,13,16)
InChIKeyWLDRMKNHJPYWFK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.17
Rot. Bonds2

About N-[(4-sulfamoylphenyl)carbamothioyl]acetamide

N-[(4-sulfamoylphenyl)carbamothioyl]acetamide (PubChem CID 974380) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)carbamothioyl]acetamide
PubChem CID974380
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC NameN-[(4-sulfamoylphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11N3O3S2/c1-6(13)11-9(16)12-7-2-4-8(5-3-7)17(10,14)15/h2-5H,1H3,(H2,10,14,15)(H2,11,12,13,16)
InChIKeyWLDRMKNHJPYWFK-UHFFFAOYSA-N
XLogP0.17
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(4-sulfamoylphenyl)carbamothioyl]acetamide (CID 974380) is N-[(4-sulfamoylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
The InChIKey is WLDRMKNHJPYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-6(13)11-9(16)12-7-2-4-8(5-3-7)17(10,14)15/h2-5H,1H3,(H2,10,14,15)(H2,11,12,13,16).
What are the key properties of N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
N-[(4-sulfamoylphenyl)carbamothioyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 974380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).