N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide

C14H22N2O4S — CID 27260887

IUPACN-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-6-15-14(17)9-16(4)21(18,19)13-8-11(3)10(2)7-12(13)20-5/h7-8H,6,9H2,1-5H3,(H,15,17)
InChIKeyYIUJDMXJRAXKJX-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.07
Rot. Bonds6

About N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide

N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 27260887) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID27260887
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-6-15-14(17)9-16(4)21(18,19)13-8-11(3)10(2)7-12(13)20-5/h7-8H,6,9H2,1-5H3,(H,15,17)
InChIKeyYIUJDMXJRAXKJX-UHFFFAOYSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61126734
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
5-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 60952208
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 4023832
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 27260887) is N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide is CCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is YIUJDMXJRAXKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-6-15-14(17)9-16(4)21(18,19)13-8-11(3)10(2)7-12(13)20-5/h7-8H,6,9H2,1-5H3,(H,15,17).
What are the key properties of N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 27260887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).