cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid

C24H26N2O5S — CID 68820136

IUPACcis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@H]3CCC[C@H]3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-31-18-10-12-19(13-11-18)32(29,30)26(2)23-9-5-7-21(23)24(27)28/h3-4,6,8,10-14,21,23H,5,7,9,15H2,1-2H3,(H,27,28)/t21-,23+/m1/s1
InChIKeyQMSWLPLFMGHQGH-GGAORHGYSA-N
MW454.55 g/mol
LogP4.00
Rot. Bonds7

About cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 68820136) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID68820136
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Namecis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@H]3CCC[C@H]3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-31-18-10-12-19(13-11-18)32(29,30)26(2)23-9-5-7-21(23)24(27)28/h3-4,6,8,10-14,21,23H,5,7,9,15H2,1-2H3,(H,27,28)/t21-,23+/m1/s1
InChIKeyQMSWLPLFMGHQGH-GGAORHGYSA-N
XLogP4.00
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid (CID 68820136) is cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid is Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@H]3CCC[C@H]3C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QMSWLPLFMGHQGH-GGAORHGYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-31-18-10-12-19(13-11-18)32(29,30)26(2)23-9-5-7-21(23)24(27)28/h3-4,6,8,10-14,21,23H,5,7,9,15H2,1-2H3,(H,27,28)/t21-,23+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 454.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).