(4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

C24H30N2O5S — CID 24686348

IUPAC(4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O5S/c1-19-5-7-20(8-6-19)18-31-24(27)22-17-21(32(28,29)26-11-3-2-4-12-26)9-10-23(22)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16,18H2,1H3
InChIKeyVIBSPQFWVGVISZ-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.36
Rot. Bonds6

About (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

(4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 24686348) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID24686348
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name(4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O5S/c1-19-5-7-20(8-6-19)18-31-24(27)22-17-21(32(28,29)26-11-3-2-4-12-26)9-10-23(22)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16,18H2,1H3
InChIKeyVIBSPQFWVGVISZ-UHFFFAOYSA-N
XLogP3.36
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid
CID 2433199
5-(Dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2512653
5-(Diethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2577517
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)benzoic acid
CID 4961661
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl 2-(propionylamino)benzoate
CID 2190341
Ethyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 2392189
Methyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-morpholinobenzoate
CID 2810085
[2-(2-Methylpropylamino)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2998561
2-(4-Morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester
CID 4034696
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4137577
5-(4-Morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester
CID 4362424

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 24686348) is (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is Cc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is VIBSPQFWVGVISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-19-5-7-20(8-6-19)18-31-24(27)22-17-21(32(28,29)26-11-3-2-4-12-26)9-10-23(22)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16,18H2,1H3.
What are the key properties of (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
(4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 458.58 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 24686348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).