2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide

C20H26N2O5S2 — CID 55343823

IUPAC2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
SMILESCOc1ccccc1OCCNC(=O)C(CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S2/c1-26-18-10-6-7-11-19(18)27-14-13-21-20(23)17(12-15-28-2)22-29(24,25)16-8-4-3-5-9-16/h3-11,17,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyXKWCXGBEEULVDK-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.29
Rot. Bonds12

About 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide (PubChem CID 55343823) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
PubChem CID55343823
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC Name2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
SMILESCOc1ccccc1OCCNC(=O)C(CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S2/c1-26-18-10-6-7-11-19(18)27-14-13-21-20(23)17(12-15-28-2)22-29(24,25)16-8-4-3-5-9-16/h3-11,17,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyXKWCXGBEEULVDK-UHFFFAOYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
2-(benzenesulfonamido)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methylsulfanylbutanamide
CID 55626826
N-[2-[[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]ethyl]-4-methoxybenzamide
CID 55960223
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 24551133
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
2-(benzenesulfonamido)-N-[(2-cyclopentyloxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 55930683
N-[1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55348608
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46673518
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 55638144

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide (CID 55343823) is 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide is COc1ccccc1OCCNC(=O)C(CCSC)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is XKWCXGBEEULVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-26-18-10-6-7-11-19(18)27-14-13-21-20(23)17(12-15-28-2)22-29(24,25)16-8-4-3-5-9-16/h3-11,17,22H,12-15H2,1-2H3,(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 438.57 g/mol, XLogP of 2.29, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55343823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).