3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide

C11H16N2O4S2 — CID 171139464

IUPAC3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
SMILESCNS(=O)(=O)CCNC(=O)C=Cc1cc(CO)cs1
InChIInChI=1S/C11H16N2O4S2/c1-12-19(16,17)5-4-13-11(15)3-2-10-6-9(7-14)8-18-10/h2-3,6,8,12,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyGAGIUMMNLDXJIS-UHFFFAOYSA-N
MW304.39 g/mol
LogP-0.08
Rot. Bonds7

About 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide

3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide (PubChem CID 171139464) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
PubChem CID171139464
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
SMILESCNS(=O)(=O)CCNC(=O)C=Cc1cc(CO)cs1
InChIInChI=1S/C11H16N2O4S2/c1-12-19(16,17)5-4-13-11(15)3-2-10-6-9(7-14)8-18-10/h2-3,6,8,12,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyGAGIUMMNLDXJIS-UHFFFAOYSA-N
XLogP-0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide?
The IUPAC name of 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide (CID 171139464) is 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide?
The canonical SMILES for 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide is CNS(=O)(=O)CCNC(=O)C=Cc1cc(CO)cs1.
What is the InChIKey of 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide?
The InChIKey is GAGIUMMNLDXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-12-19(16,17)5-4-13-11(15)3-2-10-6-9(7-14)8-18-10/h2-3,6,8,12,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide?
3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide is sourced from PubChem (CID 171139464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).