(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate

C22H26N2O7S — CID 24979525

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N2O7S/c1-15-4-9-19(32(27,28)23-17-5-7-18(29-3)8-6-17)14-20(15)22(26)31-16(2)21(25)24-10-12-30-13-11-24/h4-9,14,16,23H,10-13H2,1-3H3
InChIKeyRATPJWLDDWKQIN-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.21
Rot. Bonds7

About (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate (PubChem CID 24979525) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate
PubChem CID24979525
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N2O7S/c1-15-4-9-19(32(27,28)23-17-5-7-18(29-3)8-6-17)14-20(15)22(26)31-16(2)21(25)24-10-12-30-13-11-24/h4-9,14,16,23H,10-13H2,1-3H3
InChIKeyRATPJWLDDWKQIN-UHFFFAOYSA-N
XLogP2.21
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate (CID 24979525) is (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is RATPJWLDDWKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-15-4-9-19(32(27,28)23-17-5-7-18(29-3)8-6-17)14-20(15)22(26)31-16(2)21(25)24-10-12-30-13-11-24/h4-9,14,16,23H,10-13H2,1-3H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 462.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 24979525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).