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

C11H15N3O3S2 — CID 43567096

IUPAC2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C11H15N3O3S2/c1-2-13-10(15)7-14-19(16,17)9-5-3-4-8(6-9)11(12)18/h3-6,14H,2,7H2,1H3,(H2,12,18)(H,13,15)
InChIKeyJCJVGYAFCJQUIA-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.26
Rot. Bonds6

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

2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 43567096) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide
PubChem CID43567096
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C11H15N3O3S2/c1-2-13-10(15)7-14-19(16,17)9-5-3-4-8(6-9)11(12)18/h3-6,14H,2,7H2,1H3,(H2,12,18)(H,13,15)
InChIKeyJCJVGYAFCJQUIA-UHFFFAOYSA-N
XLogP-0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.26
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-methylacetamide
CID 43310617
3-(2-methylpropylsulfamoyl)benzenecarbothioamide
CID 24692710
3-(2-sulfamoylethylsulfamoyl)benzenecarbothioamide
CID 43552526
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
CID 106237183
3-(2-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 61470485
3-(3-methylbutan-2-ylsulfamoyl)benzenecarbothioamide
CID 43131461
3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872977
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110430
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452668
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide (CID 43567096) is 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is JCJVGYAFCJQUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-2-13-10(15)7-14-19(16,17)9-5-3-4-8(6-9)11(12)18/h3-6,14H,2,7H2,1H3,(H2,12,18)(H,13,15).
What are the key properties of 2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide?
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 301.39 g/mol, XLogP of -0.26, 6 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-ethylacetamide is sourced from PubChem (CID 43567096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).