6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide

C20H19FN2O4S — CID 46975783

IUPAC6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(F)ccc3nc2C)cc1
InChIInChI=1S/C20H19FN2O4S/c1-13-18(12-14-11-15(21)3-8-19(14)23-13)20(24)22-9-10-28(25,26)17-6-4-16(27-2)5-7-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyUSUWGTSELMIVEM-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.89
Rot. Bonds6

About 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide

6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide (PubChem CID 46975783) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
PubChem CID46975783
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(F)ccc3nc2C)cc1
InChIInChI=1S/C20H19FN2O4S/c1-13-18(12-14-11-15(21)3-8-19(14)23-13)20(24)22-9-10-28(25,26)17-6-4-16(27-2)5-7-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyUSUWGTSELMIVEM-UHFFFAOYSA-N
XLogP2.89
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide
CID 46975216
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33220870
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
CID 35418477
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide (CID 46975783) is 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(F)ccc3nc2C)cc1.
What is the InChIKey of 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide?
The InChIKey is USUWGTSELMIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-13-18(12-14-11-15(21)3-8-19(14)23-13)20(24)22-9-10-28(25,26)17-6-4-16(27-2)5-7-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide?
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46975783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).