N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide

C10H13N3O3S2 — CID 61127681

IUPACN-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(N)=S)cc1
InChIInChI=1S/C10H13N3O3S2/c1-7(14)13-8-2-4-9(5-3-8)18(15,16)12-6-10(11)17/h2-5,12H,6H2,1H3,(H2,11,17)(H,13,14)
InChIKeyDFPZRINHCWGGSL-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.21
Rot. Bonds5

About N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide (PubChem CID 61127681) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
PubChem CID61127681
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC NameN-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(N)=S)cc1
InChIInChI=1S/C10H13N3O3S2/c1-7(14)13-8-2-4-9(5-3-8)18(15,16)12-6-10(11)17/h2-5,12H,6H2,1H3,(H2,11,17)(H,13,14)
InChIKeyDFPZRINHCWGGSL-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
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

N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
CID 61120241
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4844460
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide (CID 61127681) is N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(N)=S)cc1.
What is the InChIKey of N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is DFPZRINHCWGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-7(14)13-8-2-4-9(5-3-8)18(15,16)12-6-10(11)17/h2-5,12H,6H2,1H3,(H2,11,17)(H,13,14).
What are the key properties of N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 61127681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).