5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

C16H20N2O3S2 — CID 112981153

IUPAC5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H20N2O3S2/c1-2-15-7-8-16(22-15)23(19,20)17-13-3-5-14(6-4-13)18-9-11-21-12-10-18/h3-8,17H,2,9-12H2,1H3
InChIKeyHEZUHYJSXXPLTQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.95
Rot. Bonds5

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

5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide (PubChem CID 112981153) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
PubChem CID112981153
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H20N2O3S2/c1-2-15-7-8-16(22-15)23(19,20)17-13-3-5-14(6-4-13)18-9-11-21-12-10-18/h3-8,17H,2,9-12H2,1H3
InChIKeyHEZUHYJSXXPLTQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326162
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 121141761
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
CID 71792745
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 110352750
5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 26843024

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide (CID 112981153) is 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is HEZUHYJSXXPLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-2-15-7-8-16(22-15)23(19,20)17-13-3-5-14(6-4-13)18-9-11-21-12-10-18/h3-8,17H,2,9-12H2,1H3.
What are the key properties of 5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 352.48 g/mol, XLogP of 2.95, 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-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 112981153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).