4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide

C21H28N2O5S — CID 108572911

IUPAC4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)CCCOc2c(C)cccc2C)cc1
InChIInChI=1S/C21H28N2O5S/c1-16-6-4-7-17(2)21(16)28-15-5-8-20(24)22-13-14-23-29(25,26)19-11-9-18(27-3)10-12-19/h4,6-7,9-12,23H,5,8,13-15H2,1-3H3,(H,22,24)
InChIKeyLAQZWMWVXPIZSK-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.57
Rot. Bonds11

About 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide

4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide (PubChem CID 108572911) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide
PubChem CID108572911
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)CCCOc2c(C)cccc2C)cc1
InChIInChI=1S/C21H28N2O5S/c1-16-6-4-7-17(2)21(16)28-15-5-8-20(24)22-13-14-23-29(25,26)19-11-9-18(27-3)10-12-19/h4,6-7,9-12,23H,5,8,13-15H2,1-3H3,(H,22,24)
InChIKeyLAQZWMWVXPIZSK-UHFFFAOYSA-N
XLogP2.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.57
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

N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
N-[2-[(2-chloroacetyl)amino]ethyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108572936
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide?
The IUPAC name of 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide (CID 108572911) is 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide is COc1ccc(S(=O)(=O)NCCNC(=O)CCCOc2c(C)cccc2C)cc1.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide?
The InChIKey is LAQZWMWVXPIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16-6-4-7-17(2)21(16)28-15-5-8-20(24)22-13-14-23-29(25,26)19-11-9-18(27-3)10-12-19/h4,6-7,9-12,23H,5,8,13-15H2,1-3H3,(H,22,24).
What are the key properties of 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide?
4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide has a molecular weight of 420.53 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide is sourced from PubChem (CID 108572911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).