N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide

C22H30N2O5S — CID 108759067

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C(C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H30N2O5S/c1-16(2)20-7-5-6-8-21(20)29-17(3)22(25)23-15-18-9-11-19(12-10-18)30(26,27)24-13-14-28-4/h5-12,16-17,24H,13-15H2,1-4H3,(H,23,25)
InChIKeyNBWOHWDAMBOMLE-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.82
Rot. Bonds11

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 108759067) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID108759067
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C(C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H30N2O5S/c1-16(2)20-7-5-6-8-21(20)29-17(3)22(25)23-15-18-9-11-19(12-10-18)30(26,27)24-13-14-28-4/h5-12,16-17,24H,13-15H2,1-4H3,(H,23,25)
InChIKeyNBWOHWDAMBOMLE-UHFFFAOYSA-N
XLogP2.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide
CID 108735914
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 108759067) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide is COCCNS(=O)(=O)c1ccc(CNC(=O)C(C)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is NBWOHWDAMBOMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-16(2)20-7-5-6-8-21(20)29-17(3)22(25)23-15-18-9-11-19(12-10-18)30(26,27)24-13-14-28-4/h5-12,16-17,24H,13-15H2,1-4H3,(H,23,25).
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 434.56 g/mol, XLogP of 2.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108759067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).