(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide

C12H17NO5S — CID 94217640

IUPAC(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
SMILESCC[C@@H](OC)C(=O)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO5S/c1-4-11(18-3)12(14)13-19(15,16)10-7-5-9(17-2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyZVRQKTFZGLFLLB-LLVKDONJSA-N
MW287.34 g/mol
LogP0.93
Rot. Bonds6

About (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide

(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide (PubChem CID 94217640) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
PubChem CID94217640
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
SMILESCC[C@@H](OC)C(=O)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO5S/c1-4-11(18-3)12(14)13-19(15,16)10-7-5-9(17-2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyZVRQKTFZGLFLLB-LLVKDONJSA-N
XLogP0.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
CID 94190804
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide?
The IUPAC name of (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide (CID 94217640) is (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide.
What is the SMILES notation for (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide?
The canonical SMILES for (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide is CC[C@@H](OC)C(=O)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide?
The InChIKey is ZVRQKTFZGLFLLB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-4-11(18-3)12(14)13-19(15,16)10-7-5-9(17-2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide?
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide has a molecular weight of 287.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide is sourced from PubChem (CID 94217640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).