N-thiophen-2-ylsulfonylprop-2-enamide

C7H7NO3S2 — CID 139972027

IUPACN-thiophen-2-ylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C7H7NO3S2/c1-2-6(9)8-13(10,11)7-4-3-5-12-7/h2-5H,1H2,(H,8,9)
InChIKeyJYXSRLYKIFPRSX-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.74
Rot. Bonds3

About N-thiophen-2-ylsulfonylprop-2-enamide

N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 139972027) has the molecular formula C7H7NO3S2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID139972027
Molecular FormulaC7H7NO3S2
Molecular Weight217.27 g/mol
Exact Mass216.99
IUPAC NameN-thiophen-2-ylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C7H7NO3S2/c1-2-6(9)8-13(10,11)7-4-3-5-12-7/h2-5H,1H2,(H,8,9)
InChIKeyJYXSRLYKIFPRSX-UHFFFAOYSA-N
XLogP0.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

thiophen-2-ylsulfonylurea;urea
CID 19065180
(Z)-N-thiophen-2-ylsulfonylhex-2-enamide
CID 97377755
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839
N-fluorothiophene-2-sulfonamide
CID 175398216
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
N'-thiophen-2-ylsulfonylacetohydrazide
CID 8500698
(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide
CID 10113842
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
S-(thiophen-2-ylsulfonylamino) methanethioate
CID 23443454

Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of N-thiophen-2-ylsulfonylprop-2-enamide (CID 139972027) is N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for N-thiophen-2-ylsulfonylprop-2-enamide is C=CC(=O)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is JYXSRLYKIFPRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S2/c1-2-6(9)8-13(10,11)7-4-3-5-12-7/h2-5H,1H2,(H,8,9).
What are the key properties of N-thiophen-2-ylsulfonylprop-2-enamide?
N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 217.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 139972027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).