2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide

C22H26ClN3O5S — CID 16546072

IUPAC2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O5S/c23-18-5-1-2-6-21(18)31-16-22(27)24-19-15-17(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,27)
InChIKeyNVHLICWCXTYJFJ-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.98
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide

2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 16546072) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID16546072
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC Name2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O5S/c23-18-5-1-2-6-21(18)31-16-22(27)24-19-15-17(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,27)
InChIKeyNVHLICWCXTYJFJ-UHFFFAOYSA-N
XLogP2.98
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 24687416
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 5216601
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 3918520
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 4666759
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (CID 16546072) is 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is O=C(COc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NVHLICWCXTYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c23-18-5-1-2-6-21(18)31-16-22(27)24-19-15-17(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,27).
What are the key properties of 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 479.99 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 16546072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).