2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide

C11H17N3O3S3 — CID 106270824

IUPAC2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H17N3O3S3/c1-2-3-6-14(7-9(12)15)20(16,17)10-5-4-8(19-10)11(13)18/h4-5H,2-3,6-7H2,1H3,(H2,12,15)(H2,13,18)
InChIKeyZLCQQKUVZHNMEH-UHFFFAOYSA-N
MW335.48 g/mol
LogP0.66
Rot. Bonds8

About 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide

2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide (PubChem CID 106270824) has the molecular formula C11H17N3O3S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
PubChem CID106270824
Molecular FormulaC11H17N3O3S3
Molecular Weight335.48 g/mol
Exact Mass335.04
IUPAC Name2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H17N3O3S3/c1-2-3-6-14(7-9(12)15)20(16,17)10-5-4-8(19-10)11(13)18/h4-5H,2-3,6-7H2,1H3,(H2,12,15)(H2,13,18)
InChIKeyZLCQQKUVZHNMEH-UHFFFAOYSA-N
XLogP0.66
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
2-[(4-aminothiophen-2-yl)sulfonyl-butylamino]acetamide
CID 61299792
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide (CID 106270824) is 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is ZLCQQKUVZHNMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S3/c1-2-3-6-14(7-9(12)15)20(16,17)10-5-4-8(19-10)11(13)18/h4-5H,2-3,6-7H2,1H3,(H2,12,15)(H2,13,18).
What are the key properties of 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide?
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 335.48 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 106270824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).