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

C21H24N2O4S — CID 1015805

IUPACN-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-13-21(3,4)23(20-11-8-17(27-5)12-19(14)20)28(25,26)18-9-6-16(7-10-18)22-15(2)24/h6-13H,1-5H3,(H,22,24)
InChIKeyINIIWKSJGODMFA-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.04
Rot. Bonds4

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

N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1015805) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
PubChem CID1015805
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-13-21(3,4)23(20-11-8-17(27-5)12-19(14)20)28(25,26)18-9-6-16(7-10-18)22-15(2)24/h6-13H,1-5H3,(H,22,24)
InChIKeyINIIWKSJGODMFA-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-(4-hydroxyphenyl)-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16804868
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
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
(2,2,4-trimethyl-1H-quinolin-6-yl) 4-methylbenzenesulfonate
CID 2848586

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide (CID 1015805) is N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide is COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is INIIWKSJGODMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-13-21(3,4)23(20-11-8-17(27-5)12-19(14)20)28(25,26)18-9-6-16(7-10-18)22-15(2)24/h6-13H,1-5H3,(H,22,24).
What are the key properties of N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1015805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).