N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C15H22N2O4S — CID 1082958

IUPACN-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(2)16-15(18)11-21-13-5-7-14(8-6-13)22(19,20)17-9-3-4-10-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyPFGUNBVBGLYEPI-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.37
Rot. Bonds6

About N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 1082958) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID1082958
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(2)16-15(18)11-21-13-5-7-14(8-6-13)22(19,20)17-9-3-4-10-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyPFGUNBVBGLYEPI-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-propionylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10502708
1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10670246
4-(2-Hydroxy-propionylamino)-1-(4-propoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10787997
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
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
N-cyclopropyl-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 894252
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 1082958) is N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is PFGUNBVBGLYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(2)16-15(18)11-21-13-5-7-14(8-6-13)22(19,20)17-9-3-4-10-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1082958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).