methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate

C20H23N3O6S — CID 30766141

IUPACmethyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O6S/c1-28-20(25)15-3-2-4-17(13-15)21-14-19(24)22-16-5-7-18(8-6-16)30(26,27)23-9-11-29-12-10-23/h2-8,13,21H,9-12,14H2,1H3,(H,22,24)
InChIKeyAGSAOXONPFZATQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.54
Rot. Bonds7

About methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate

methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 30766141) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
PubChem CID30766141
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Namemethyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O6S/c1-28-20(25)15-3-2-4-17(13-15)21-14-19(24)22-16-5-7-18(8-6-16)30(26,27)23-9-11-29-12-10-23/h2-8,13,21H,9-12,14H2,1H3,(H,22,24)
InChIKeyAGSAOXONPFZATQ-UHFFFAOYSA-N
XLogP1.54
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
methyl 3-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 51110852
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 22307501

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate (CID 30766141) is methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is AGSAOXONPFZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-28-20(25)15-3-2-4-17(13-15)21-14-19(24)22-16-5-7-18(8-6-16)30(26,27)23-9-11-29-12-10-23/h2-8,13,21H,9-12,14H2,1H3,(H,22,24).
What are the key properties of methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 433.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 30766141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).