5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

C17H20N2O4S2 — CID 71110949

IUPAC5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCC1=CC(c2ccc(S(=O)(=O)NCc3ccco3)s2)C(C)NC1=O
InChIInChI=1S/C17H20N2O4S2/c1-3-12-9-14(11(2)19-17(12)20)15-6-7-16(24-15)25(21,22)18-10-13-5-4-8-23-13/h4-9,11,14,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyHSSTUDGVVSMNAB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.76
Rot. Bonds6

About 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 71110949) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID71110949
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCC1=CC(c2ccc(S(=O)(=O)NCc3ccco3)s2)C(C)NC1=O
InChIInChI=1S/C17H20N2O4S2/c1-3-12-9-14(11(2)19-17(12)20)15-6-7-16(24-15)25(21,22)18-10-13-5-4-8-23-13/h4-9,11,14,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyHSSTUDGVVSMNAB-UHFFFAOYSA-N
XLogP2.76
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 58808571
N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051
2-amino-N-(furan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 91812357
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 46380290
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
N-(furan-2-ylmethyl)piperidine-3-sulfonamide
CID 24690010
N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide
CID 50876396
2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151925
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349246
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (CID 71110949) is 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is CCC1=CC(c2ccc(S(=O)(=O)NCc3ccco3)s2)C(C)NC1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is HSSTUDGVVSMNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-3-12-9-14(11(2)19-17(12)20)15-6-7-16(24-15)25(21,22)18-10-13-5-4-8-23-13/h4-9,11,14,18H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71110949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).