N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide

C10H17N3O3S2 — CID 114174810

IUPACN-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCNS(=O)(=O)CCNCc1sccc1NC(C)=O
InChIInChI=1S/C10H17N3O3S2/c1-8(14)13-9-3-5-17-10(9)7-12-4-6-18(15,16)11-2/h3,5,11-12H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyQGYLMMCOOWIHTG-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.35
Rot. Bonds7

About N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 114174810) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
PubChem CID114174810
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCNS(=O)(=O)CCNCc1sccc1NC(C)=O
InChIInChI=1S/C10H17N3O3S2/c1-8(14)13-9-3-5-17-10(9)7-12-4-6-18(15,16)11-2/h3,5,11-12H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyQGYLMMCOOWIHTG-UHFFFAOYSA-N
XLogP0.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
CID 66385918
N-[2-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]thiophen-3-yl]acetamide
CID 115674351
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide (CID 114174810) is N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide is CNS(=O)(=O)CCNCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is QGYLMMCOOWIHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-8(14)13-9-3-5-17-10(9)7-12-4-6-18(15,16)11-2/h3,5,11-12H,4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 114174810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).