[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate

C28H29N3O7S — CID 4265032

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
SMILESO=C(COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H29N3O7S/c32-26(29-23-11-13-24(14-12-23)39(35,36)31-15-17-37-18-16-31)20-38-27(33)19-25(21-7-3-1-4-8-21)30-28(34)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,32)(H,30,34)
InChIKeyYJENFWPAYPGKIG-UHFFFAOYSA-N
MW551.62 g/mol
LogP2.75
Rot. Bonds10

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate (PubChem CID 4265032) has the molecular formula C28H29N3O7S and a molecular weight of 551.62 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
PubChem CID4265032
Molecular FormulaC28H29N3O7S
Molecular Weight551.62 g/mol
Exact Mass551.17
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
SMILESO=C(COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H29N3O7S/c32-26(29-23-11-13-24(14-12-23)39(35,36)31-15-17-37-18-16-31)20-38-27(33)19-25(21-7-3-1-4-8-21)30-28(34)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,32)(H,30,34)
InChIKeyYJENFWPAYPGKIG-UHFFFAOYSA-N
XLogP2.75
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.62
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
CID 7221898
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2087430
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23855200
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate (CID 4265032) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate is O=C(COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
The InChIKey is YJENFWPAYPGKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O7S/c32-26(29-23-11-13-24(14-12-23)39(35,36)31-15-17-37-18-16-31)20-38-27(33)19-25(21-7-3-1-4-8-21)30-28(34)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,32)(H,30,34).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate has a molecular weight of 551.62 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 4265032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).