4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C48H60F2N6O6S2 — CID 158908649

IUPAC4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC=Cc1cc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cnc1C=C.CCc1cc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cnc1CC
InChIInChI=1S/C24H32FN3O3S.C24H28FN3O3S/c2*1-4-17-14-22(15-26-23(17)5-2)32(30,31)28-21-12-8-19(9-13-21)24(29)27-16(3)18-6-10-20(25)11-7-18/h6-7,10-11,14-16,19,21,28H,4-5,8-9,12-13H2,1-3H3,(H,27,29);4-7,10-11,14-16,19,21,28H,1-2,8-9,12-13H2,3H3,(H,27,29)/t2*16-,19?,21?/m11/s1
InChIKeyJGJCPQDICYYRGI-PIVYNCTNSA-N
MW919.17 g/mol
LogP8.28
Rot. Bonds16

About 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 158908649) has the molecular formula C48H60F2N6O6S2 and a molecular weight of 919.17 g/mol. Its IUPAC name is 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID158908649
Molecular FormulaC48H60F2N6O6S2
Molecular Weight919.17 g/mol
Exact Mass918.40
IUPAC Name4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC=Cc1cc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cnc1C=C.CCc1cc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cnc1CC
InChIInChI=1S/C24H32FN3O3S.C24H28FN3O3S/c2*1-4-17-14-22(15-26-23(17)5-2)32(30,31)28-21-12-8-19(9-13-21)24(29)27-16(3)18-6-10-20(25)11-7-18/h6-7,10-11,14-16,19,21,28H,4-5,8-9,12-13H2,1-3H3,(H,27,29);4-7,10-11,14-16,19,21,28H,1-2,8-9,12-13H2,3H3,(H,27,29)/t2*16-,19?,21?/m11/s1
InChIKeyJGJCPQDICYYRGI-PIVYNCTNSA-N
XLogP8.28
TPSA176.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.17
LogP ≤ 58.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58292231
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(6-phenyl-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58291935
4-[[6-(2-aminoethylamino)-5-bromo-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58074363
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292066
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 76743565
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292025
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371
4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 77478029
4-[(1,2-dimethylbenzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 56639932
4-[[(2R)-2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90217155
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
4-(9H-fluoren-2-ylsulfonylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90216895

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 158908649) is 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is C=Cc1cc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cnc1C=C.CCc1cc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cnc1CC.
What is the InChIKey of 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JGJCPQDICYYRGI-PIVYNCTNSA-N. The full InChI is InChI=1S/C24H32FN3O3S.C24H28FN3O3S/c2*1-4-17-14-22(15-26-23(17)5-2)32(30,31)28-21-12-8-19(9-13-21)24(29)27-16(3)18-6-10-20(25)11-7-18/h6-7,10-11,14-16,19,21,28H,4-5,8-9,12-13H2,1-3H3,(H,27,29);4-7,10-11,14-16,19,21,28H,1-2,8-9,12-13H2,3H3,(H,27,29)/t2*16-,19?,21?/m11/s1.
What are the key properties of 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 919.17 g/mol, XLogP of 8.28, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-bis(ethenyl)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;4-[(5,6-diethyl-3-pyridinyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 158908649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).