N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide

C12H17NO6S — CID 47347665

IUPACN-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)C(C)OC)c1
InChIInChI=1S/C12H17NO6S/c1-8(17-2)12(14)13-20(15,16)11-7-9(18-3)5-6-10(11)19-4/h5-8H,1-4H3,(H,13,14)
InChIKeyYYWYRBBSCRXGAC-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.54
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide

N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide (PubChem CID 47347665) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
PubChem CID47347665
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC NameN-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)C(C)OC)c1
InChIInChI=1S/C12H17NO6S/c1-8(17-2)12(14)13-20(15,16)11-7-9(18-3)5-6-10(11)19-4/h5-8H,1-4H3,(H,13,14)
InChIKeyYYWYRBBSCRXGAC-UHFFFAOYSA-N
XLogP0.54
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 12875194
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide (CID 47347665) is N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide is COc1ccc(OC)c(S(=O)(=O)NC(=O)C(C)OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
The InChIKey is YYWYRBBSCRXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8(17-2)12(14)13-20(15,16)11-7-9(18-3)5-6-10(11)19-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide has a molecular weight of 303.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide is sourced from PubChem (CID 47347665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).