N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide

C13H20N2O5S — CID 35304540

IUPACN-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCNC(C)=O)cc1OC
InChIInChI=1S/C13H20N2O5S/c1-9-7-11(19-3)12(20-4)8-13(9)21(17,18)15-6-5-14-10(2)16/h7-8,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyCANCUHIINPOFMM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.43
Rot. Bonds7

About N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 35304540) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID35304540
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCNC(C)=O)cc1OC
InChIInChI=1S/C13H20N2O5S/c1-9-7-11(19-3)12(20-4)8-13(9)21(17,18)15-6-5-14-10(2)16/h7-8,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyCANCUHIINPOFMM-UHFFFAOYSA-N
XLogP0.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.43
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-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 110758714
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43245212

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide (CID 35304540) is N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide is COc1cc(C)c(S(=O)(=O)NCCNC(C)=O)cc1OC.
What is the InChIKey of N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is CANCUHIINPOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9-7-11(19-3)12(20-4)8-13(9)21(17,18)15-6-5-14-10(2)16/h7-8,15H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 35304540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).