1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide

C20H18N2O4S2 — CID 67450131

IUPAC1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(C)S(N)(=O)=O)cc1
InChIInChI=1S/C20H18N2O4S2/c1-11(28(21,24)25)12-3-5-13(6-4-12)17-16(26-2)8-7-15-18(17)14-9-10-27-19(14)20(23)22-15/h3-11H,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyNLOKVUFMJSVOFI-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.77
Rot. Bonds4

About 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide

1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide (PubChem CID 67450131) has the molecular formula C20H18N2O4S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide
PubChem CID67450131
Molecular FormulaC20H18N2O4S2
Molecular Weight414.51 g/mol
Exact Mass414.07
IUPAC Name1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(C)S(N)(=O)=O)cc1
InChIInChI=1S/C20H18N2O4S2/c1-11(28(21,24)25)12-3-5-13(6-4-12)17-16(26-2)8-7-15-18(17)14-9-10-27-19(14)20(23)22-15/h3-11H,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyNLOKVUFMJSVOFI-UHFFFAOYSA-N
XLogP3.77
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447737
9-[4-(1-aminobutyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163590116
9-[4-[hydroxy(1,3-thiazol-2-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449091
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67448652
2-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]sulfonylamino]ethyl methanesulfonate
CID 86689549
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
9-[4-(ethylaminomethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450179
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
N-(3,3-dimethylbutyl)-4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzenesulfonamide
CID 67450016
9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449221
9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118194228
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]butyl]carbamate
CID 67449971

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide?
The IUPAC name of 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide (CID 67450131) is 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(C)S(N)(=O)=O)cc1.
What is the InChIKey of 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide?
The InChIKey is NLOKVUFMJSVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2/c1-11(28(21,24)25)12-3-5-13(6-4-12)17-16(26-2)8-7-15-18(17)14-9-10-27-19(14)20(23)22-15/h3-11H,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide?
1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 67450131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).