N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide

C18H24N2O4S — CID 14739889

IUPACN-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide
SMILESCc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H24N2O4S/c1-14-4-3-5-18(10-14)24-13-17(21)12-19-11-15-6-8-16(9-7-15)20-25(2,22)23/h3-10,17,19-21H,11-13H2,1-2H3
InChIKeyPCRICIUMMKDSIF-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.90
Rot. Bonds9

About N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide

N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 14739889) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide
PubChem CID14739889
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide
SMILESCc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H24N2O4S/c1-14-4-3-5-18(10-14)24-13-17(21)12-19-11-15-6-8-16(9-7-15)20-25(2,22)23/h3-10,17,19-21H,11-13H2,1-2H3
InChIKeyPCRICIUMMKDSIF-UHFFFAOYSA-N
XLogP1.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906230
N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide;hydrochloride
CID 67689935
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
N-[4-[(2S)-3-[2-(3,5-dihydroxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 25107956
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide (CID 14739889) is N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide is Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is PCRICIUMMKDSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-14-4-3-5-18(10-14)24-13-17(21)12-19-11-15-6-8-16(9-7-15)20-25(2,22)23/h3-10,17,19-21H,11-13H2,1-2H3.
What are the key properties of N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide?
N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14739889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).