N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide

C20H28N4O4S — CID 58082692

IUPACN-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C20H28N4O4S/c1-29(25,26)24-16-7-5-15(6-8-16)22-20-21-13-14-3-2-4-18(19(14)23-20)28-17-9-11-27-12-10-17/h2-4,13,15-17,24H,5-12H2,1H3,(H,21,22,23)
InChIKeyFTSCBZJOYDHRRY-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.46
Rot. Bonds6

About N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide

N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide (PubChem CID 58082692) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
PubChem CID58082692
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C20H28N4O4S/c1-29(25,26)24-16-7-5-15(6-8-16)22-20-21-13-14-3-2-4-18(19(14)23-20)28-17-9-11-27-12-10-17/h2-4,13,15-17,24H,5-12H2,1H3,(H,21,22,23)
InChIKeyFTSCBZJOYDHRRY-UHFFFAOYSA-N
XLogP2.46
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide (CID 58082692) is N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1.
What is the InChIKey of N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide?
The InChIKey is FTSCBZJOYDHRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-29(25,26)24-16-7-5-15(6-8-16)22-20-21-13-14-3-2-4-18(19(14)23-20)28-17-9-11-27-12-10-17/h2-4,13,15-17,24H,5-12H2,1H3,(H,21,22,23).
What are the key properties of N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide?
N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 58082692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).