N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide

C22H24N2O4S — CID 46975216

IUPACN-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(C)cc(C)c3nc2C)cc1
InChIInChI=1S/C22H24N2O4S/c1-14-11-15(2)21-17(12-14)13-20(16(3)24-21)22(25)23-9-10-29(26,27)19-7-5-18(28-4)6-8-19/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)
InChIKeySLRWNFJGJKKWIA-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide

N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide (PubChem CID 46975216) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide
PubChem CID46975216
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(C)cc(C)c3nc2C)cc1
InChIInChI=1S/C22H24N2O4S/c1-14-11-15(2)21-17(12-14)13-20(16(3)24-21)22(25)23-9-10-29(26,27)19-7-5-18(28-4)6-8-19/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)
InChIKeySLRWNFJGJKKWIA-UHFFFAOYSA-N
XLogP3.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide
CID 71946672
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-[2-(4-methoxyphenyl)sulfonylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974358
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide (CID 46975216) is N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(C)cc(C)c3nc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide?
The InChIKey is SLRWNFJGJKKWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14-11-15(2)21-17(12-14)13-20(16(3)24-21)22(25)23-9-10-29(26,27)19-7-5-18(28-4)6-8-19/h5-8,11-13H,9-10H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide?
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide is sourced from PubChem (CID 46975216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).