5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide

C14H20N2O3S2 — CID 71792745

IUPAC5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC#CCN2CCOCC2)s1
InChIInChI=1S/C14H20N2O3S2/c1-2-13-5-6-14(20-13)21(17,18)15-7-3-4-8-16-9-11-19-12-10-16/h5-6,15H,2,7-12H2,1H3
InChIKeyHVGPIWYFMNYKNR-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.92
Rot. Bonds5

About 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide

5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide (PubChem CID 71792745) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
PubChem CID71792745
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC#CCN2CCOCC2)s1
InChIInChI=1S/C14H20N2O3S2/c1-2-13-5-6-14(20-13)21(17,18)15-7-3-4-8-16-9-11-19-12-10-16/h5-6,15H,2,7-12H2,1H3
InChIKeyHVGPIWYFMNYKNR-UHFFFAOYSA-N
XLogP0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide
CID 71792740
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353531
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-5-ethylthiophene-2-sulfonamide
CID 90554362
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 110287224
5-ethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide
CID 90554008
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide (CID 71792745) is 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC#CCN2CCOCC2)s1.
What is the InChIKey of 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide?
The InChIKey is HVGPIWYFMNYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-2-13-5-6-14(20-13)21(17,18)15-7-3-4-8-16-9-11-19-12-10-16/h5-6,15H,2,7-12H2,1H3.
What are the key properties of 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide?
5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71792745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).