2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H21ClN2O5S — CID 4932008

IUPAC2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-14(27-18-5-3-2-4-17(18)20)19(23)21-15-6-8-16(9-7-15)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyLMGDDYFWHAYDKE-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4932008) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4932008
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-14(27-18-5-3-2-4-17(18)20)19(23)21-15-6-8-16(9-7-15)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyLMGDDYFWHAYDKE-UHFFFAOYSA-N
XLogP2.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 4932008) is 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is LMGDDYFWHAYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-14(27-18-5-3-2-4-17(18)20)19(23)21-15-6-8-16(9-7-15)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 424.91 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4932008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).