2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide

C12H17N3O5S — CID 9302272

IUPAC2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C12H17N3O5S/c1-8(16)15-10-5-4-9(6-11(10)20-3)21(18,19)14-7-12(17)13-2/h4-6,14H,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOUBUOHBOQBXDFF-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.32
Rot. Bonds6

About 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide

2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 9302272) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
PubChem CID9302272
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C12H17N3O5S/c1-8(16)15-10-5-4-9(6-11(10)20-3)21(18,19)14-7-12(17)13-2/h4-6,14H,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOUBUOHBOQBXDFF-UHFFFAOYSA-N
XLogP-0.32
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189598
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191389
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide (CID 9302272) is 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1.
What is the InChIKey of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is OUBUOHBOQBXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-8(16)15-10-5-4-9(6-11(10)20-3)21(18,19)14-7-12(17)13-2/h4-6,14H,7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide?
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 315.35 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 9302272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).