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

C13H20N2O5S — CID 45371745

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H20N2O5S/c1-5-14-13(16)9-15(2)21(17,18)12-8-10(19-3)6-7-11(12)20-4/h6-8H,5,9H2,1-4H3,(H,14,16)
InChIKeyYCTAFVKRBLMBPD-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.46
Rot. Bonds7

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

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 45371745) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID45371745
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H20N2O5S/c1-5-14-13(16)9-15(2)21(17,18)12-8-10(19-3)6-7-11(12)20-4/h6-8H,5,9H2,1-4H3,(H,14,16)
InChIKeyYCTAFVKRBLMBPD-UHFFFAOYSA-N
XLogP0.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 27260887
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375557
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
ethyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45371787
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796931
N-[2-(azepan-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 1259921

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide (CID 45371745) is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is YCTAFVKRBLMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-5-14-13(16)9-15(2)21(17,18)12-8-10(19-3)6-7-11(12)20-4/h6-8H,5,9H2,1-4H3,(H,14,16).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 316.38 g/mol, XLogP of 0.46, 7 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-ethylacetamide is sourced from PubChem (CID 45371745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).