N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide

C21H23N3O4S — CID 55947949

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)cc1OC
InChIInChI=1S/C21H23N3O4S/c1-5-29(26,27)24-19-9-7-15(12-20(19)28-4)23-21(25)17-11-14(3)22-18-8-6-13(2)10-16(17)18/h6-12,24H,5H2,1-4H3,(H,23,25)
InChIKeyIZKWYPZUWYUCFU-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.87
Rot. Bonds6

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 55947949) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID55947949
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)cc1OC
InChIInChI=1S/C21H23N3O4S/c1-5-29(26,27)24-19-9-7-15(12-20(19)28-4)23-21(25)17-11-14(3)22-18-8-6-13(2)10-16(17)18/h6-12,24H,5H2,1-4H3,(H,23,25)
InChIKeyIZKWYPZUWYUCFU-UHFFFAOYSA-N
XLogP3.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
CID 47067402
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948591
N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
CID 134019170
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
CID 97456217

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide (CID 55947949) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is IZKWYPZUWYUCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-5-29(26,27)24-19-9-7-15(12-20(19)28-4)23-21(25)17-11-14(3)22-18-8-6-13(2)10-16(17)18/h6-12,24H,5H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 55947949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).