(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate

C18H20N2O6S — CID 9385964

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCC(=O)c1c[nH]c(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H20N2O6S/c1-13(21)15-10-17(19-11-15)18(22)26-12-14-3-2-4-16(9-14)27(23,24)20-5-7-25-8-6-20/h2-4,9-11,19H,5-8,12H2,1H3
InChIKeyRGXWXQSAOCHTDM-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.60
Rot. Bonds6

About (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate

(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate (PubChem CID 9385964) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
PubChem CID9385964
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCC(=O)c1c[nH]c(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H20N2O6S/c1-13(21)15-10-17(19-11-15)18(22)26-12-14-3-2-4-16(9-14)27(23,24)20-5-7-25-8-6-20/h2-4,9-11,19H,5-8,12H2,1H3
InChIKeyRGXWXQSAOCHTDM-UHFFFAOYSA-N
XLogP1.60
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-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

(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(dimethylamino)benzoate
CID 7668490
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
CID 29382847
(3-morpholin-4-ylsulfonylphenyl)methyl 2-chloro-4-fluorobenzoate
CID 7826009
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 42978879
(3-morpholin-4-ylsulfonylphenyl)methyl 1-benzothiophene-2-carboxylate
CID 7887439
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 18532475
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
(3-morpholin-4-ylsulfonylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2103147

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate (CID 9385964) is (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate is CC(=O)c1c[nH]c(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The InChIKey is RGXWXQSAOCHTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-13(21)15-10-17(19-11-15)18(22)26-12-14-3-2-4-16(9-14)27(23,24)20-5-7-25-8-6-20/h2-4,9-11,19H,5-8,12H2,1H3.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate has a molecular weight of 392.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 9385964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).