N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide

C17H28N2O5S — CID 113053358

IUPACN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CCNS(=O)(=O)c1cc(C)c(C)cc1OC)C(C)=O
InChIInChI=1S/C17H28N2O5S/c1-13-11-16(24-5)17(12-14(13)2)25(21,22)18-7-9-19(15(3)20)8-6-10-23-4/h11-12,18H,6-10H2,1-5H3
InChIKeyKYYOOJHGNWFQGB-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.48
Rot. Bonds10

About N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide (PubChem CID 113053358) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
PubChem CID113053358
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CCNS(=O)(=O)c1cc(C)c(C)cc1OC)C(C)=O
InChIInChI=1S/C17H28N2O5S/c1-13-11-16(24-5)17(12-14(13)2)25(21,22)18-7-9-19(15(3)20)8-6-10-23-4/h11-12,18H,6-10H2,1-5H3
InChIKeyKYYOOJHGNWFQGB-UHFFFAOYSA-N
XLogP1.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053219
N-[2-(ethylsulfonylamino)ethyl]-N-(3-methoxypropyl)acetamide
CID 113053334
N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide
CID 113057022
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053362
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052336
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide (CID 113053358) is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide is COCCCN(CCNS(=O)(=O)c1cc(C)c(C)cc1OC)C(C)=O.
What is the InChIKey of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is KYYOOJHGNWFQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-13-11-16(24-5)17(12-14(13)2)25(21,22)18-7-9-19(15(3)20)8-6-10-23-4/h11-12,18H,6-10H2,1-5H3.
What are the key properties of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113053358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).