2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide

C11H14N4O4S2 — CID 62921929

IUPAC2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1C(N)=S
InChIInChI=1S/C11H14N4O4S2/c12-9(16)5-15(6-10(13)17)21(18,19)8-4-2-1-3-7(8)11(14)20/h1-4H,5-6H2,(H2,12,16)(H2,13,17)(H2,14,20)
InChIKeyQUWDMDUWXQDGAL-UHFFFAOYSA-N
MW330.39 g/mol
LogP-1.72
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide

2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide (PubChem CID 62921929) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide
PubChem CID62921929
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1C(N)=S
InChIInChI=1S/C11H14N4O4S2/c12-9(16)5-15(6-10(13)17)21(18,19)8-4-2-1-3-7(8)11(14)20/h1-4H,5-6H2,(H2,12,16)(H2,13,17)(H2,14,20)
InChIKeyQUWDMDUWXQDGAL-UHFFFAOYSA-N
XLogP-1.72
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
2-[methyl(2-methylsulfonylethyl)sulfamoyl]benzenecarbothioamide
CID 79858546
2-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzenecarbothioamide
CID 54995212
2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264373
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
2-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106935868
2-[(3-hydroxyphenyl)-methylsulfamoyl]benzenecarbothioamide
CID 107735369
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884
2-(3-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 106329106
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
2-[(2-carbamothioylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61467920

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide (CID 62921929) is 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide is NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1C(N)=S.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide?
The InChIKey is QUWDMDUWXQDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c12-9(16)5-15(6-10(13)17)21(18,19)8-4-2-1-3-7(8)11(14)20/h1-4H,5-6H2,(H2,12,16)(H2,13,17)(H2,14,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide?
2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide has a molecular weight of 330.39 g/mol, XLogP of -1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 62921929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).