N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C23H28ClN3O4S — CID 16567470

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C23H28ClN3O4S/c24-19-6-9-22(26-13-15-31-16-14-26)21(17-19)25-23(28)10-5-18-3-7-20(8-4-18)32(29,30)27-11-1-2-12-27/h3-4,6-9,17H,1-2,5,10-16H2,(H,25,28)
InChIKeyVLWUETWMAHSUHS-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.53
Rot. Bonds7

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 16567470) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID16567470
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C23H28ClN3O4S/c24-19-6-9-22(26-13-15-31-16-14-26)21(17-19)25-23(28)10-5-18-3-7-20(8-4-18)32(29,30)27-11-1-2-12-27/h3-4,6-9,17H,1-2,5,10-16H2,(H,25,28)
InChIKeyVLWUETWMAHSUHS-UHFFFAOYSA-N
XLogP3.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 16567470) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is VLWUETWMAHSUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c24-19-6-9-22(26-13-15-31-16-14-26)21(17-19)25-23(28)10-5-18-3-7-20(8-4-18)32(29,30)27-11-1-2-12-27/h3-4,6-9,17H,1-2,5,10-16H2,(H,25,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 478.01 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 16567470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).