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

C13H20N2O5S — CID 32945132

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O5S/c1-14(2)13(16)9-15(3)21(17,18)12-8-10(19-4)6-7-11(12)20-5/h6-8H,9H2,1-5H3
InChIKeyVFDAZFWZIMBLOC-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.41
Rot. Bonds6

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

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 32945132) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID32945132
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O5S/c1-14(2)13(16)9-15(3)21(17,18)12-8-10(19-4)6-7-11(12)20-5/h6-8H,9H2,1-5H3
InChIKeyVFDAZFWZIMBLOC-UHFFFAOYSA-N
XLogP0.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.41
H-Bond Donors ≤ 50
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-ethylacetamide
CID 45371745
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
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
2,5-dimethoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1022064
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375557
ethyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45371787
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945
ethyl (2S)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]propanoate
CID 95975765
2-[(2,5-dimethoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829815
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 32945132) is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is VFDAZFWZIMBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-14(2)13(16)9-15(3)21(17,18)12-8-10(19-4)6-7-11(12)20-5/h6-8H,9H2,1-5H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 316.38 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 32945132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).