3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide

C11H16N2O3S2 — CID 61128280

IUPAC3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
SMILESCC(C)=CC(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H16N2O3S2/c1-8(2)7-10(14)13-6-5-9-3-4-11(17-9)18(12,15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyPGVWOGFMTOERMU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.02
Rot. Bonds5

About 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide

3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide (PubChem CID 61128280) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
PubChem CID61128280
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
SMILESCC(C)=CC(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H16N2O3S2/c1-8(2)7-10(14)13-6-5-9-3-4-11(17-9)18(12,15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyPGVWOGFMTOERMU-UHFFFAOYSA-N
XLogP1.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
5-(3-oxobutyl)thiophene-2-sulfonamide
CID 22147785
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706
1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
CID 60976637
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 79884277
2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
CID 81450580

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide (CID 61128280) is 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide is CC(C)=CC(=O)NCCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide?
The InChIKey is PGVWOGFMTOERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8(2)7-10(14)13-6-5-9-3-4-11(17-9)18(12,15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide?
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide is sourced from PubChem (CID 61128280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).