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

C22H26ClN3O4S — CID 3945324

IUPAC2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O4S/c23-18-5-3-17(4-6-18)15-22(27)24-20-16-19(7-8-21(20)25-9-1-2-10-25)31(28,29)26-11-13-30-14-12-26/h3-8,16H,1-2,9-15H2,(H,24,27)
InChIKeyUEZDHCZKYJJGJF-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.14
Rot. Bonds6

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

2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 3945324) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID3945324
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O4S/c23-18-5-3-17(4-6-18)15-22(27)24-20-16-19(7-8-21(20)25-9-1-2-10-25)31(28,29)26-11-13-30-14-12-26/h3-8,16H,1-2,9-15H2,(H,24,27)
InChIKeyUEZDHCZKYJJGJF-UHFFFAOYSA-N
XLogP3.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3158002
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CID 16282216
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CID 897379
CID 897379
CID 997370
CID 997370
CID 1108158
CID 1108158
CID 1164400
CID 1164400
CID 2105999
CID 2105999
CID 3232214
CID 3232214
CID 3510468
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CID 3609499
CID 3609499

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (CID 3945324) is 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is UEZDHCZKYJJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-18-5-3-17(4-6-18)15-22(27)24-20-16-19(7-8-21(20)25-9-1-2-10-25)31(28,29)26-11-13-30-14-12-26/h3-8,16H,1-2,9-15H2,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 463.99 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 3945324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).