methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate

C24H30N2O6S — CID 55513242

IUPACmethyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O6S/c1-31-24(28)13-14-25(19-21-5-3-2-4-6-21)23(27)12-9-20-7-10-22(11-8-20)33(29,30)26-15-17-32-18-16-26/h2-8,10-11H,9,12-19H2,1H3
InChIKeyQOXFIOYZHVVLBK-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.23
Rot. Bonds10

About methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate

methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate (PubChem CID 55513242) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
PubChem CID55513242
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Namemethyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O6S/c1-31-24(28)13-14-25(19-21-5-3-2-4-6-21)23(27)12-9-20-7-10-22(11-8-20)33(29,30)26-15-17-32-18-16-26/h2-8,10-11H,9,12-19H2,1H3
InChIKeyQOXFIOYZHVVLBK-UHFFFAOYSA-N
XLogP2.23
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
CID 47081612
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 100698202
methyl (2S)-3-[benzyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]-2-methylpropanoate
CID 52909647
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
methyl 3-[benzyl-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55512905
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-[ethyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 119190952
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate (CID 55513242) is methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate?
The InChIKey is QOXFIOYZHVVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-31-24(28)13-14-25(19-21-5-3-2-4-6-21)23(27)12-9-20-7-10-22(11-8-20)33(29,30)26-15-17-32-18-16-26/h2-8,10-11H,9,12-19H2,1H3.
What are the key properties of methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate?
methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate has a molecular weight of 474.58 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate is sourced from PubChem (CID 55513242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).