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

C23H28ClN3O5S — CID 2105999

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C23H28ClN3O5S/c24-19-4-7-22(26-9-13-31-14-10-26)21(17-19)25-23(28)8-3-18-1-5-20(6-2-18)33(29,30)27-11-15-32-16-12-27/h1-2,4-7,17H,3,8-16H2,(H,25,28)
InChIKeyGHONPNCRXBJHKX-UHFFFAOYSA-N
MW494.01 g/mol
LogP2.77
Rot. Bonds7

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

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2105999) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2105999
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C23H28ClN3O5S/c24-19-4-7-22(26-9-13-31-14-10-26)21(17-19)25-23(28)8-3-18-1-5-20(6-2-18)33(29,30)27-11-15-32-16-12-27/h1-2,4-7,17H,3,8-16H2,(H,25,28)
InChIKeyGHONPNCRXBJHKX-UHFFFAOYSA-N
XLogP2.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2105999) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is GHONPNCRXBJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c24-19-4-7-22(26-9-13-31-14-10-26)21(17-19)25-23(28)8-3-18-1-5-20(6-2-18)33(29,30)27-11-15-32-16-12-27/h1-2,4-7,17H,3,8-16H2,(H,25,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 494.01 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2105999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).