2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide

C22H27N3O6S — CID 55360382

IUPAC2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H27N3O6S/c26-22(23-31-17-18-4-2-1-3-5-18)20-16-19(32(27,28)25-10-14-30-15-11-25)6-7-21(20)24-8-12-29-13-9-24/h1-7,16H,8-15,17H2,(H,23,26)
InChIKeyUZXLGRWSCCFORI-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.41
Rot. Bonds7

About 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide

2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide (PubChem CID 55360382) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
PubChem CID55360382
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H27N3O6S/c26-22(23-31-17-18-4-2-1-3-5-18)20-16-19(32(27,28)25-10-14-30-15-11-25)6-7-21(20)24-8-12-29-13-9-24/h1-7,16H,8-15,17H2,(H,23,26)
InChIKeyUZXLGRWSCCFORI-UHFFFAOYSA-N
XLogP1.41
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide
CID 55612850
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4828738
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
(3-carbamoylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55640864
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
CID 171989528
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide?
The IUPAC name of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide (CID 55360382) is 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide?
The canonical SMILES for 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide?
The InChIKey is UZXLGRWSCCFORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c26-22(23-31-17-18-4-2-1-3-5-18)20-16-19(32(27,28)25-10-14-30-15-11-25)6-7-21(20)24-8-12-29-13-9-24/h1-7,16H,8-15,17H2,(H,23,26).
What are the key properties of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide?
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide has a molecular weight of 461.54 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide is sourced from PubChem (CID 55360382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).