2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide

C28H39N3O7S — CID 133148603

IUPAC2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H39N3O7S/c1-22(2)37-17-7-14-29-28(33)23(3)31(20-24-8-5-4-6-9-24)27(32)21-38-25-10-12-26(13-11-25)39(34,35)30-15-18-36-19-16-30/h4-6,8-13,22-23H,7,14-21H2,1-3H3,(H,29,33)
InChIKeySJEOWJIFNOJRAM-UHFFFAOYSA-N
MW561.70 g/mol
LogP2.43
Rot. Bonds14

About 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide

2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 133148603) has the molecular formula C28H39N3O7S and a molecular weight of 561.70 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID133148603
Molecular FormulaC28H39N3O7S
Molecular Weight561.70 g/mol
Exact Mass561.25
IUPAC Name2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H39N3O7S/c1-22(2)37-17-7-14-29-28(33)23(3)31(20-24-8-5-4-6-9-24)27(32)21-38-25-10-12-26(13-11-25)39(34,35)30-15-18-36-19-16-30/h4-6,8-13,22-23H,7,14-21H2,1-3H3,(H,29,33)
InChIKeySJEOWJIFNOJRAM-UHFFFAOYSA-N
XLogP2.43
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.70
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-butylpropanamide
CID 133148621
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133148569
2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133213215
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133149592
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149588
N-butyl-2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133214218
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133213708
2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 133237271
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenylacetamide
CID 133238369
2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133236222
2-[benzyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 133213871
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenylacetamide
CID 133236757

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide (CID 133148603) is 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is SJEOWJIFNOJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O7S/c1-22(2)37-17-7-14-29-28(33)23(3)31(20-24-8-5-4-6-9-24)27(32)21-38-25-10-12-26(13-11-25)39(34,35)30-15-18-36-19-16-30/h4-6,8-13,22-23H,7,14-21H2,1-3H3,(H,29,33).
What are the key properties of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide?
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 561.70 g/mol, XLogP of 2.43, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 133148603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).