(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide

C12H16N2O3S — CID 23320209

IUPAC(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-3-12(15)14-9-8-10-4-6-11(7-5-10)18(13,16)17/h2-7H,8-9H2,1H3,(H,14,15)(H2,13,16,17)/b3-2+
InChIKeyGNGZHIJXJNQYEB-NSCUHMNNSA-N
MW268.34 g/mol
LogP0.57
Rot. Bonds5

About (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide

(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide (PubChem CID 23320209) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
PubChem CID23320209
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-3-12(15)14-9-8-10-4-6-11(7-5-10)18(13,16)17/h2-7H,8-9H2,1H3,(H,14,15)(H2,13,16,17)/b3-2+
InChIKeyGNGZHIJXJNQYEB-NSCUHMNNSA-N
XLogP0.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid
CID 4548807
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870
(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide
CID 23320212
(E)-3-(2-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 9165843
(E)-N-[2-(4-bromophenyl)ethyl]but-2-enamide
CID 110478022
(E)-3-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266
3-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1309696
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 7943075
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide (CID 23320209) is (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide is C/C=C/C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide?
The InChIKey is GNGZHIJXJNQYEB-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-3-12(15)14-9-8-10-4-6-11(7-5-10)18(13,16)17/h2-7H,8-9H2,1H3,(H,14,15)(H2,13,16,17)/b3-2+.
What are the key properties of (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide?
(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide has a molecular weight of 268.34 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide is sourced from PubChem (CID 23320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).