N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C22H25N3O4S — CID 5309600

IUPACN-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H25N3O4S/c26-22(24-15-19-6-3-13-29-19)18-10-8-16(9-11-18)14-25-30(27,28)20-7-1-4-17-5-2-12-23-21(17)20/h1-7,12-13,16,18,25H,8-11,14-15H2,(H,24,26)
InChIKeyKPLHKGZSZFRISD-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.23
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 5309600) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID5309600
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H25N3O4S/c26-22(24-15-19-6-3-13-29-19)18-10-8-16(9-11-18)14-25-30(27,28)20-7-1-4-17-5-2-12-23-21(17)20/h1-7,12-13,16,18,25H,8-11,14-15H2,(H,24,26)
InChIKeyKPLHKGZSZFRISD-UHFFFAOYSA-N
XLogP3.23
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 5309600) is N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is KPLHKGZSZFRISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-22(24-15-19-6-3-13-29-19)18-10-8-16(9-11-18)14-25-30(27,28)20-7-1-4-17-5-2-12-23-21(17)20/h1-7,12-13,16,18,25H,8-11,14-15H2,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5309600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).