N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

C16H26N2O4S — CID 5175531

IUPACN-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O4S/c1-7-18(11-15(19)17-16(3,4)5)23(20,21)14-10-12(2)8-9-13(14)22-6/h8-10H,7,11H2,1-6H3,(H,17,19)
InChIKeyRHHULHYRCFEONU-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.93
Rot. Bonds6

About N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (PubChem CID 5175531) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
PubChem CID5175531
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O4S/c1-7-18(11-15(19)17-16(3,4)5)23(20,21)14-10-12(2)8-9-13(14)22-6/h8-10H,7,11H2,1-6H3,(H,17,19)
InChIKeyRHHULHYRCFEONU-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 45372312
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
dimethyl 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45372693
N-(3-chloro-4-methylphenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372313
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (CID 5175531) is N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RHHULHYRCFEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-7-18(11-15(19)17-16(3,4)5)23(20,21)14-10-12(2)8-9-13(14)22-6/h8-10H,7,11H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 5175531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).