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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
CID 131903019
(E)-3-(4-aminophenyl)-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
CID 106336595
3-[4-(hydroxymethyl)thiophen-2-yl]-N-[(5-methoxy-1H-indol-2-yl)methyl]prop-2-enamide
CID 171139598
3-[3-(4-bromothiophen-2-yl)prop-2-enoylamino]-N-propylpropanamide
CID 71995117
3-(4-bromothiophen-2-yl)-N-propylsulfonylprop-2-enamide
CID 71987845
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
CID 131894443
N-[1-(benzenesulfonyl)piperidin-4-yl]-3-[4-(hydroxymethyl)thiophen-2-yl]prop-2-enamide
CID 171139963
3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]prop-2-enamide
CID 171139593
(E)-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-[4-(hydroxymethyl)thiophen-2-yl]prop-2-enamide
CID 131897969
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]prop-2-enamide
CID 131936406
3-[4-(hydroxymethyl)thiophen-2-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 171139543
(E)-3-[3-methyl-5-[2-(methylsulfamoyl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 106342219

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).