2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide

C12H18N2O5S — CID 27001573

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C12H18N2O5S/c1-13-12(15)8-14(2)20(16,17)11-7-9(18-3)5-6-10(11)19-4/h5-7H,8H2,1-4H3,(H,13,15)
InChIKeyIDMQGLYREBGSMF-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.07
Rot. Bonds6

About 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 27001573) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID27001573
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C12H18N2O5S/c1-13-12(15)8-14(2)20(16,17)11-7-9(18-3)5-6-10(11)19-4/h5-7H,8H2,1-4H3,(H,13,15)
InChIKeyIDMQGLYREBGSMF-UHFFFAOYSA-N
XLogP0.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
4-methoxy-3-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215464
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375557
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945
N-[2-(azepan-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 1259921
2,5-dimethoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1259918
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300
ethyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45371787
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135598985
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 27001573) is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is IDMQGLYREBGSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-13-12(15)8-14(2)20(16,17)11-7-9(18-3)5-6-10(11)19-4/h5-7H,8H2,1-4H3,(H,13,15).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 302.35 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 27001573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).