5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide

C18H20N2O4S2 — CID 110326084

IUPAC5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc3cc(OC)ccc3[nH]c2=O)s1
InChIInChI=1S/C18H20N2O4S2/c1-3-15-5-7-17(25-15)26(22,23)19-9-8-12-10-13-11-14(24-2)4-6-16(13)20-18(12)21/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyCNEWJHOKNUYBNU-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.68
Rot. Bonds7

About 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110326084) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110326084
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc3cc(OC)ccc3[nH]c2=O)s1
InChIInChI=1S/C18H20N2O4S2/c1-3-15-5-7-17(25-15)26(22,23)19-9-8-12-10-13-11-14(24-2)4-6-16(13)20-18(12)21/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyCNEWJHOKNUYBNU-UHFFFAOYSA-N
XLogP2.68
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110324960
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110326072
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110326323
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 110324199
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide (CID 110326084) is 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2cc3cc(OC)ccc3[nH]c2=O)s1.
What is the InChIKey of 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CNEWJHOKNUYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-3-15-5-7-17(25-15)26(22,23)19-9-8-12-10-13-11-14(24-2)4-6-16(13)20-18(12)21/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110326084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).