methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

C19H29N3O7S — CID 55674800

IUPACmethyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)[nH]c(C(C)=O)c1C
InChIInChI=1S/C19H29N3O7S/c1-11-9-22(10-12(2)29-11)30(26,27)7-6-20-16(24)8-15-17(19(25)28-5)13(3)18(21-15)14(4)23/h11-12,21H,6-10H2,1-5H3,(H,20,24)
InChIKeyVIMHHKMMVSKSOR-UHFFFAOYSA-N
MW443.52 g/mol
LogP0.41
Rot. Bonds8

About methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 55674800) has the molecular formula C19H29N3O7S and a molecular weight of 443.52 g/mol. Its IUPAC name is methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID55674800
Molecular FormulaC19H29N3O7S
Molecular Weight443.52 g/mol
Exact Mass443.17
IUPAC Namemethyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)[nH]c(C(C)=O)c1C
InChIInChI=1S/C19H29N3O7S/c1-11-9-22(10-12(2)29-11)30(26,27)7-6-20-16(24)8-15-17(19(25)28-5)13(3)18(21-15)14(4)23/h11-12,21H,6-10H2,1-5H3,(H,20,24)
InChIKeyVIMHHKMMVSKSOR-UHFFFAOYSA-N
XLogP0.41
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate 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

methyl 5-acetyl-2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 9451396
tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
CID 52502622
tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
CID 47082029
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
methyl 5-acetyl-2-[2-(azetidin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 56810236
methyl 5-acetyl-4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 51265343
methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 9450105
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide
CID 94799434
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
methyl 5-acetyl-2-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 17481500

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 55674800) is methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(CC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)[nH]c(C(C)=O)c1C.
What is the InChIKey of methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is VIMHHKMMVSKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O7S/c1-11-9-22(10-12(2)29-11)30(26,27)7-6-20-16(24)8-15-17(19(25)28-5)13(3)18(21-15)14(4)23/h11-12,21H,6-10H2,1-5H3,(H,20,24).
What are the key properties of methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 443.52 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55674800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).