4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide

C18H24N2O3S — CID 35887109

IUPAC4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide
SMILESCc1cccc(OCCN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H24N2O3S/c1-14-5-4-6-17(13-14)23-12-11-20(3)15(2)16-7-9-18(10-8-16)24(19,21)22/h4-10,13,15H,11-12H2,1-3H3,(H2,19,21,22)/t15-/m1/s1
InChIKeyONNOCIGSCLFVGT-OAHLLOKOSA-N
MW348.47 g/mol
LogP2.71
Rot. Bonds7

About 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide

4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide (PubChem CID 35887109) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide
PubChem CID35887109
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide
SMILESCc1cccc(OCCN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H24N2O3S/c1-14-5-4-6-17(13-14)23-12-11-20(3)15(2)16-7-9-18(10-8-16)24(19,21)22/h4-10,13,15H,11-12H2,1-3H3,(H2,19,21,22)/t15-/m1/s1
InChIKeyONNOCIGSCLFVGT-OAHLLOKOSA-N
XLogP2.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
1-methyl-3-[2-(3-methylphenoxy)ethyl]-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 38213707
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139387
2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 34722791
2-N,2-N-dimethyl-6-[1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42894550
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8754897
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide (CID 35887109) is 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide is Cc1cccc(OCCN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is ONNOCIGSCLFVGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-5-4-6-17(13-14)23-12-11-20(3)15(2)16-7-9-18(10-8-16)24(19,21)22/h4-10,13,15H,11-12H2,1-3H3,(H2,19,21,22)/t15-/m1/s1.
What are the key properties of 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide?
4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 35887109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).