2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C18H20ClN3O4S — CID 2229473

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccccn1
InChIInChI=1S/C18H20ClN3O4S/c19-16-11-15(27(24,25)22-9-3-4-10-22)6-7-17(16)26-13-18(23)21-12-14-5-1-2-8-20-14/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,23)
InChIKeyUOLRGLFAFKJBGK-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.21
Rot. Bonds7

About 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2229473) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2229473
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccccn1
InChIInChI=1S/C18H20ClN3O4S/c19-16-11-15(27(24,25)22-9-3-4-10-22)6-7-17(16)26-13-18(23)21-12-14-5-1-2-8-20-14/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,23)
InChIKeyUOLRGLFAFKJBGK-UHFFFAOYSA-N
XLogP2.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Chloro-4-methoxy-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 3162899
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-(5-Chloro-2-methoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493572
2-[4-[(E)-2-(3-chloro-2-pyridinyl)ethenyl]sulfonylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 153404513
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
4-chloro-3-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 978045
2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(2-pyridinylmethyl)acetamide
CID 1084690
2-[(4-Chloro-phenyl)-(4-methoxy-benzenesulfonyl)-amino]-N-pyridin-2-ylmethyl-acetamide
CID 1085400
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
CID 1252473
1-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide
CID 2976158
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 3155658
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3161901

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 2229473) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccccn1.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UOLRGLFAFKJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c19-16-11-15(27(24,25)22-9-3-4-10-22)6-7-17(16)26-13-18(23)21-12-14-5-1-2-8-20-14/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,23).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 409.90 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2229473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).