N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide

C22H23NO5S — CID 94012174

IUPACN-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
SMILESCOc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO5S/c1-17(16-27-19-10-8-18(26-2)9-11-19)23-29(24,25)22-14-12-21(13-15-22)28-20-6-4-3-5-7-20/h3-15,17,23H,16H2,1-2H3/t17-/m1/s1
InChIKeyFUUBIIACYFAFHB-QGZVFWFLSA-N
MW413.50 g/mol
LogP4.23
Rot. Bonds9

About N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide

N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide (PubChem CID 94012174) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
PubChem CID94012174
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC NameN-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
SMILESCOc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO5S/c1-17(16-27-19-10-8-18(26-2)9-11-19)23-29(24,25)22-14-12-21(13-15-22)28-20-6-4-3-5-7-20/h3-15,17,23H,16H2,1-2H3/t17-/m1/s1
InChIKeyFUUBIIACYFAFHB-QGZVFWFLSA-N
XLogP4.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide 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

4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 133235289
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide (CID 94012174) is N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide is COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide?
The InChIKey is FUUBIIACYFAFHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-17(16-27-19-10-8-18(26-2)9-11-19)23-29(24,25)22-14-12-21(13-15-22)28-20-6-4-3-5-7-20/h3-15,17,23H,16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide?
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 94012174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).