2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide

C10H13N3O3S2 — CID 28518424

IUPAC2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)Cc1ccccc1C(N)=S
InChIInChI=1S/C10H13N3O3S2/c11-9(14)5-13-18(15,16)6-7-3-1-2-4-8(7)10(12)17/h1-4,13H,5-6H2,(H2,11,14)(H2,12,17)
InChIKeyKYOROJDINHOSGZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.77
Rot. Bonds6

About 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide

2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide (PubChem CID 28518424) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide
PubChem CID28518424
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)Cc1ccccc1C(N)=S
InChIInChI=1S/C10H13N3O3S2/c11-9(14)5-13-18(15,16)6-7-3-1-2-4-8(7)10(12)17/h1-4,13H,5-6H2,(H2,11,14)(H2,12,17)
InChIKeyKYOROJDINHOSGZ-UHFFFAOYSA-N
XLogP-0.77
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.77
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-[(2-carbamothioylphenyl)methylsulfonylamino]-N-methylacetamide
CID 43310613
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
2-(dicyclopropylmethylsulfamoylmethyl)benzenecarbothioamide
CID 61480569
2-[(2-iodophenyl)sulfamoylmethyl]benzenecarbothioamide
CID 28978442
2-[(2-methyl-3-methylsulfanylpropyl)sulfamoylmethyl]benzenecarbothioamide
CID 63960014
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
2-[(2-carbamothioylphenyl)methylsulfonyl-methylamino]-N-methylacetamide
CID 43375339
2-(1H-imidazol-2-ylsulfamoylmethyl)benzenecarbothioamide
CID 63563743
2-[(1-methylpyrazol-3-yl)sulfamoylmethyl]benzenecarbothioamide
CID 60808191
2-(oxolan-3-ylsulfamoylmethyl)benzenecarbothioamide
CID 80714277
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide
CID 43547743
2-[(5-methyl-1,3-thiazol-2-yl)sulfamoylmethyl]benzenecarbothioamide
CID 29294145

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide?
The IUPAC name of 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide (CID 28518424) is 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide?
The canonical SMILES for 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide is NC(=O)CNS(=O)(=O)Cc1ccccc1C(N)=S.
What is the InChIKey of 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide?
The InChIKey is KYOROJDINHOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c11-9(14)5-13-18(15,16)6-7-3-1-2-4-8(7)10(12)17/h1-4,13H,5-6H2,(H2,11,14)(H2,12,17).
What are the key properties of 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide?
2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide has a molecular weight of 287.37 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide is sourced from PubChem (CID 28518424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).