methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate

C32H41F3N4O5S — CID 161184051

IUPACmethane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate
SMILESC.C[C@@H]1CC[C@H](CCOC(=O)Nc2ccc(S(=O)(=O)NCC3CCCCC3)cc2)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C31H37F3N4O5S.CH4/c1-20-7-10-23(38(20)24-11-14-28-26(17-24)27(31(32,33)34)18-29(39)37-28)15-16-43-30(40)36-22-8-12-25(13-9-22)44(41,42)35-19-21-5-3-2-4-6-21;/h8-9,11-14,17-18,20-21,23,35H,2-7,10,15-16,19H2,1H3,(H,36,40)(H,37,39);1H4/t20-,23-;/m1./s1
InChIKeyUSVURAQVRNATBU-KFWGXXPESA-N
MW650.76 g/mol
LogP7.04
Rot. Bonds9

About methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate

methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate (PubChem CID 161184051) has the molecular formula C32H41F3N4O5S and a molecular weight of 650.76 g/mol. Its IUPAC name is methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate
PubChem CID161184051
Molecular FormulaC32H41F3N4O5S
Molecular Weight650.76 g/mol
Exact Mass650.27
IUPAC Namemethane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate
SMILESC.C[C@@H]1CC[C@H](CCOC(=O)Nc2ccc(S(=O)(=O)NCC3CCCCC3)cc2)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C31H37F3N4O5S.CH4/c1-20-7-10-23(38(20)24-11-14-28-26(17-24)27(31(32,33)34)18-29(39)37-28)15-16-43-30(40)36-22-8-12-25(13-9-22)44(41,42)35-19-21-5-3-2-4-6-21;/h8-9,11-14,17-18,20-21,23,35H,2-7,10,15-16,19H2,1H3,(H,36,40)(H,37,39);1H4/t20-,23-;/m1./s1
InChIKeyUSVURAQVRNATBU-KFWGXXPESA-N
XLogP7.04
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.76
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate with MolForge

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Related Compounds

6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214
6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87528638
2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide
CID 87289919
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11477520
1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidine-2-carbaldehyde
CID 22279263
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
(E)-3-[4-(cyclohexylmethylsulfonyl)phenyl]-N-[2-[(2R,5R)-5-methyl-2-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 69390223
6-[(2S,5R)-2-phenyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87467163
N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238869
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055340
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919

Frequently Asked Questions

What is the IUPAC name of methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate?
The IUPAC name of methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate (CID 161184051) is methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate?
The canonical SMILES for methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate is C.C[C@@H]1CC[C@H](CCOC(=O)Nc2ccc(S(=O)(=O)NCC3CCCCC3)cc2)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate?
The InChIKey is USVURAQVRNATBU-KFWGXXPESA-N. The full InChI is InChI=1S/C31H37F3N4O5S.CH4/c1-20-7-10-23(38(20)24-11-14-28-26(17-24)27(31(32,33)34)18-29(39)37-28)15-16-43-30(40)36-22-8-12-25(13-9-22)44(41,42)35-19-21-5-3-2-4-6-21;/h8-9,11-14,17-18,20-21,23,35H,2-7,10,15-16,19H2,1H3,(H,36,40)(H,37,39);1H4/t20-,23-;/m1./s1.
What are the key properties of methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate?
methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate has a molecular weight of 650.76 g/mol, XLogP of 7.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 161184051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).