4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C26H30FN3O4S — CID 58074378

IUPAC4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCOc1ccc2cc(S(=O)(=O)NC3CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC3)ccc2n1
InChIInChI=1S/C26H30FN3O4S/c1-3-34-25-15-8-20-16-23(13-14-24(20)29-25)35(32,33)30-22-11-6-19(7-12-22)26(31)28-17(2)18-4-9-21(27)10-5-18/h4-5,8-10,13-17,19,22,30H,3,6-7,11-12H2,1-2H3,(H,28,31)/t17-,19?,22?/m1/s1
InChIKeyVYANGACYTUTCNS-BWDFOLQRSA-N
MW499.61 g/mol
LogP4.49
Rot. Bonds8

About 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 58074378) has the molecular formula C26H30FN3O4S and a molecular weight of 499.61 g/mol. Its IUPAC name is 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID58074378
Molecular FormulaC26H30FN3O4S
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCOc1ccc2cc(S(=O)(=O)NC3CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC3)ccc2n1
InChIInChI=1S/C26H30FN3O4S/c1-3-34-25-15-8-20-16-23(13-14-24(20)29-25)35(32,33)30-22-11-6-19(7-12-22)26(31)28-17(2)18-4-9-21(27)10-5-18/h4-5,8-10,13-17,19,22,30H,3,6-7,11-12H2,1-2H3,(H,28,31)/t17-,19?,22?/m1/s1
InChIKeyVYANGACYTUTCNS-BWDFOLQRSA-N
XLogP4.49
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 58074378) is 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is CCOc1ccc2cc(S(=O)(=O)NC3CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC3)ccc2n1.
What is the InChIKey of 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VYANGACYTUTCNS-BWDFOLQRSA-N. The full InChI is InChI=1S/C26H30FN3O4S/c1-3-34-25-15-8-20-16-23(13-14-24(20)29-25)35(32,33)30-22-11-6-19(7-12-22)26(31)28-17(2)18-4-9-21(27)10-5-18/h4-5,8-10,13-17,19,22,30H,3,6-7,11-12H2,1-2H3,(H,28,31)/t17-,19?,22?/m1/s1.
What are the key properties of 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyquinolin-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58074378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).