N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide

C16H26N2O5S — CID 113056649

IUPACN-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN(C(C)=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N2O5S/c1-12(19)18(16(2,3)4)10-9-17-24(20,21)15-11-13(22-5)7-8-14(15)23-6/h7-8,11,17H,9-10H2,1-6H3
InChIKeyNUIGCFISKANLOY-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.63
Rot. Bonds7

About N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide

N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113056649) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113056649
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN(C(C)=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N2O5S/c1-12(19)18(16(2,3)4)10-9-17-24(20,21)15-11-13(22-5)7-8-14(15)23-6/h7-8,11,17H,9-10H2,1-6H3
InChIKeyNUIGCFISKANLOY-UHFFFAOYSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
N-cyclohexyl-N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052998
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide (CID 113056649) is N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(OC)c(S(=O)(=O)NCCN(C(C)=O)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is NUIGCFISKANLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-12(19)18(16(2,3)4)10-9-17-24(20,21)15-11-13(22-5)7-8-14(15)23-6/h7-8,11,17H,9-10H2,1-6H3.
What are the key properties of N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide?
N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113056649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).