N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide

C19H22N2O3S2 — CID 110326323

IUPACN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc3cc(C)cc(C)c3[nH]c2=O)s1
InChIInChI=1S/C19H22N2O3S2/c1-4-16-5-6-17(25-16)26(23,24)20-8-7-14-11-15-10-12(2)9-13(3)18(15)21-19(14)22/h5-6,9-11,20H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyWXKWEVDKISFIIA-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide

N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 110326323) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID110326323
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc3cc(C)cc(C)c3[nH]c2=O)s1
InChIInChI=1S/C19H22N2O3S2/c1-4-16-5-6-17(25-16)26(23,24)20-8-7-14-11-15-10-12(2)9-13(3)18(15)21-19(14)22/h5-6,9-11,20H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyWXKWEVDKISFIIA-UHFFFAOYSA-N
XLogP3.29
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 110326084
5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110325345
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326320
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510
5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 90537815
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326222
5-ethyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110324960
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide (CID 110326323) is N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2cc3cc(C)cc(C)c3[nH]c2=O)s1.
What is the InChIKey of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is WXKWEVDKISFIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-4-16-5-6-17(25-16)26(23,24)20-8-7-14-11-15-10-12(2)9-13(3)18(15)21-19(14)22/h5-6,9-11,20H,4,7-8H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 110326323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).