N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide

C18H24N2O3S — CID 123528234

IUPACN-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
SMILESCC(CNCc1ccc(CNS(C)(=O)=O)cc1)Oc1ccccc1
InChIInChI=1S/C18H24N2O3S/c1-15(23-18-6-4-3-5-7-18)12-19-13-16-8-10-17(11-9-16)14-20-24(2,21)22/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyOHPDYFBKZWYLFA-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.29
Rot. Bonds9

About N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide

N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide (PubChem CID 123528234) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
PubChem CID123528234
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
SMILESCC(CNCc1ccc(CNS(C)(=O)=O)cc1)Oc1ccccc1
InChIInChI=1S/C18H24N2O3S/c1-15(23-18-6-4-3-5-7-18)12-19-13-16-8-10-17(11-9-16)14-20-24(2,21)22/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyOHPDYFBKZWYLFA-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide (CID 123528234) is N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide is CC(CNCc1ccc(CNS(C)(=O)=O)cc1)Oc1ccccc1.
What is the InChIKey of N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide?
The InChIKey is OHPDYFBKZWYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-15(23-18-6-4-3-5-7-18)12-19-13-16-8-10-17(11-9-16)14-20-24(2,21)22/h3-11,15,19-20H,12-14H2,1-2H3.
What are the key properties of N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide?
N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 123528234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).