2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide

C10H13N3O3S2 — CID 43310617

IUPAC2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C10H13N3O3S2/c1-12-9(14)6-13-18(15,16)8-4-2-3-7(5-8)10(11)17/h2-5,13H,6H2,1H3,(H2,11,17)(H,12,14)
InChIKeyOVNYPSIGYHTSTL-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.65
Rot. Bonds5

About 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide

2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 43310617) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID43310617
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C10H13N3O3S2/c1-12-9(14)6-13-18(15,16)8-4-2-3-7(5-8)10(11)17/h2-5,13H,6H2,1H3,(H2,11,17)(H,12,14)
InChIKeyOVNYPSIGYHTSTL-UHFFFAOYSA-N
XLogP-0.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide
CID 43567096
3-(2-methylpropylsulfamoyl)benzenecarbothioamide
CID 24692710
3-(2-sulfamoylethylsulfamoyl)benzenecarbothioamide
CID 43552526
3-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106915583
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
CID 106237183
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-(3-methylbutan-2-ylsulfamoyl)benzenecarbothioamide
CID 43131461
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110430
3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872977
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
3-(2-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 61470485

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide (CID 43310617) is 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is OVNYPSIGYHTSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-12-9(14)6-13-18(15,16)8-4-2-3-7(5-8)10(11)17/h2-5,13H,6H2,1H3,(H2,11,17)(H,12,14).
What are the key properties of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide?
2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 287.37 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43310617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).