N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C13H18N2O4S — CID 1082957

IUPACN-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-14-13(16)10-19-11-4-6-12(7-5-11)20(17,18)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyBPEXTJZRDWVUOL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.60
Rot. Bonds5

About N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 1082957) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID1082957
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-14-13(16)10-19-11-4-6-12(7-5-11)20(17,18)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyBPEXTJZRDWVUOL-UHFFFAOYSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-Butyl 4-(4-Sulfamoylphenoxy)butylcarbamate
CID 86692717
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10670246
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367
1-[(4-Ethoxyphenyl)sulfonyl]pyrrolidine
CID 893819
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 1082957) is N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is BPEXTJZRDWVUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14-13(16)10-19-11-4-6-12(7-5-11)20(17,18)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1082957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).