1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide

C24H27FN4O4S — CID 58291865

IUPAC1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(N)CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O4S/c1-16(17-2-6-19(25)7-3-17)28-23(30)24(26)12-10-20(11-13-24)29-34(31,32)21-8-4-18(5-9-21)22-14-33-15-27-22/h2-9,14-16,20,29H,10-13,26H2,1H3,(H,28,30)/t16-,20?,24?/m1/s1
InChIKeyXBQISSMDXFDRIO-VIBJYCFESA-N
MW486.57 g/mol
LogP3.28
Rot. Bonds7

About 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide

1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 58291865) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
PubChem CID58291865
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(N)CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O4S/c1-16(17-2-6-19(25)7-3-17)28-23(30)24(26)12-10-20(11-13-24)29-34(31,32)21-8-4-18(5-9-21)22-14-33-15-27-22/h2-9,14-16,20,29H,10-13,26H2,1H3,(H,28,30)/t16-,20?,24?/m1/s1
InChIKeyXBQISSMDXFDRIO-VIBJYCFESA-N
XLogP3.28
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate
CID 58292284
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292066
ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-prop-2-enylcyclohexane-1-carboxylate
CID 58291882
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
4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 77478029
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(6-phenyl-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58291935
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
4-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58292231
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide (CID 58291865) is 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1(N)CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is XBQISSMDXFDRIO-VIBJYCFESA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-16(17-2-6-19(25)7-3-17)28-23(30)24(26)12-10-20(11-13-24)29-34(31,32)21-8-4-18(5-9-21)22-14-33-15-27-22/h2-9,14-16,20,29H,10-13,26H2,1H3,(H,28,30)/t16-,20?,24?/m1/s1.
What are the key properties of 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 58291865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).