3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide

C28H25ClN2O5S — CID 175762350

IUPAC3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
SMILESCOc1ccc(C)cc1C1(C(N)=O)OCC(c2ccccc2)C1S(=O)(=O)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C28H25ClN2O5S/c1-17-11-13-23(35-2)21(15-17)28(27(30)32)26(20(16-36-28)18-7-4-3-5-8-18)37(33,34)24-10-6-9-22-19(24)12-14-25(29)31-22/h3-15,20,26H,16H2,1-2H3,(H2,30,32)
InChIKeyNETKIHKBFLPCSC-UHFFFAOYSA-N
MW537.04 g/mol
LogP4.54
Rot. Bonds6

About 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide

3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide (PubChem CID 175762350) has the molecular formula C28H25ClN2O5S and a molecular weight of 537.04 g/mol. Its IUPAC name is 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide.

Molecular Properties

Compound Name3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
PubChem CID175762350
Molecular FormulaC28H25ClN2O5S
Molecular Weight537.04 g/mol
Exact Mass536.12
IUPAC Name3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
SMILESCOc1ccc(C)cc1C1(C(N)=O)OCC(c2ccccc2)C1S(=O)(=O)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C28H25ClN2O5S/c1-17-11-13-23(35-2)21(15-17)28(27(30)32)26(20(16-36-28)18-7-4-3-5-8-18)37(33,34)24-10-6-9-22-19(24)12-14-25(29)31-22/h3-15,20,26H,16H2,1-2H3,(H2,30,32)
InChIKeyNETKIHKBFLPCSC-UHFFFAOYSA-N
XLogP4.54
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.04
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
CID 172846454
1-[(1S,2R)-2-(6-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropyl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165001907
1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165072548
1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 164977646
trans-(1S,2R)-1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 164571477
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571398
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(5-methoxy-3-pyridinyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571492
trans-(1S,2R)-1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-(6-propan-2-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 164571498
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
2-chloro-5,6-dimethoxyquinoline
CID 146155196
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide?
The IUPAC name of 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide (CID 175762350) is 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide.
What is the SMILES notation for 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide?
The canonical SMILES for 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide is COc1ccc(C)cc1C1(C(N)=O)OCC(c2ccccc2)C1S(=O)(=O)c1cccc2nc(Cl)ccc12.
What is the InChIKey of 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide?
The InChIKey is NETKIHKBFLPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O5S/c1-17-11-13-23(35-2)21(15-17)28(27(30)32)26(20(16-36-28)18-7-4-3-5-8-18)37(33,34)24-10-6-9-22-19(24)12-14-25(29)31-22/h3-15,20,26H,16H2,1-2H3,(H2,30,32).
What are the key properties of 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide?
3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide has a molecular weight of 537.04 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide is sourced from PubChem (CID 175762350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).