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

C15H22N2O4S — CID 3153452

IUPACN-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-9-16-15(18)12-21-13-5-7-14(8-6-13)22(19,20)17-10-3-4-11-17/h5-8H,2-4,9-12H2,1H3,(H,16,18)
InChIKeyIGJKNHSUVFNCAF-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.38
Rot. Bonds7

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

N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 3153452) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID3153452
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-9-16-15(18)12-21-13-5-7-14(8-6-13)22(19,20)17-10-3-4-11-17/h5-8H,2-4,9-12H2,1H3,(H,16,18)
InChIKeyIGJKNHSUVFNCAF-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.38
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-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
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

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 3153452) is N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is IGJKNHSUVFNCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-9-16-15(18)12-21-13-5-7-14(8-6-13)22(19,20)17-10-3-4-11-17/h5-8H,2-4,9-12H2,1H3,(H,16,18).
What are the key properties of N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 3153452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).