8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide

C22H25N3O4S — CID 47062207

IUPAC8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c2cccnc12
InChIInChI=1S/C22H25N3O4S/c1-28-20-9-10-21(18-8-5-11-23-22(18)20)30(26,27)24-16-19(17-6-3-2-4-7-17)25-12-14-29-15-13-25/h2-11,19,24H,12-16H2,1H3
InChIKeyJBPHTXMDRQSWIE-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.60
Rot. Bonds7

About 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide

8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide (PubChem CID 47062207) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide
PubChem CID47062207
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c2cccnc12
InChIInChI=1S/C22H25N3O4S/c1-28-20-9-10-21(18-8-5-11-23-22(18)20)30(26,27)24-16-19(17-6-3-2-4-7-17)25-12-14-29-15-13-25/h2-11,19,24H,12-16H2,1H3
InChIKeyJBPHTXMDRQSWIE-UHFFFAOYSA-N
XLogP2.60
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
CID 51966441
2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide
CID 124741959
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]pyrazole-4-sulfonamide
CID 51853490
8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
CID 624168
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
N-heptyl-8-methoxyquinoline-5-sulfonamide
CID 594128
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide (CID 47062207) is 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c2cccnc12.
What is the InChIKey of 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide?
The InChIKey is JBPHTXMDRQSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-28-20-9-10-21(18-8-5-11-23-22(18)20)30(26,27)24-16-19(17-6-3-2-4-7-17)25-12-14-29-15-13-25/h2-11,19,24H,12-16H2,1H3.
What are the key properties of 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide?
8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide is sourced from PubChem (CID 47062207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).