N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide

C22H26N2O4S — CID 1101639

IUPACN-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H26N2O4S/c1-6-28-18-9-12-21-20(13-18)15(2)14-22(4,5)24(21)29(26,27)19-10-7-17(8-11-19)23-16(3)25/h7-14H,6H2,1-5H3,(H,23,25)
InChIKeyQFNCGUSUHXCIDH-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.43
Rot. Bonds5

About N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide

N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1101639) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
PubChem CID1101639
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H26N2O4S/c1-6-28-18-9-12-21-20(13-18)15(2)14-22(4,5)24(21)29(26,27)19-10-7-17(8-11-19)23-16(3)25/h7-14H,6H2,1-5H3,(H,23,25)
InChIKeyQFNCGUSUHXCIDH-UHFFFAOYSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide 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

(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide
CID 134693749
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 4804187
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
6-Ethoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 1069778
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 18125907
4-(3-(4-Methoxy-2-methylphenyl)ureido)benzenesulfonamide
CID 46860267
N-(2-ethoxyphenyl)-2-oxo-1,2-dihydroquinoline-6-sulfonamide
CID 22548568
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide (CID 1101639) is N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is QFNCGUSUHXCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-6-28-18-9-12-21-20(13-18)15(2)14-22(4,5)24(21)29(26,27)19-10-7-17(8-11-19)23-16(3)25/h7-14H,6H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1101639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).