[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C22H26N2O5S — CID 52535688

IUPAC[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C22H26N2O5S/c1-17-15-23(16-21(29-17)18-5-3-2-4-6-18)22(25)19-7-9-20(10-8-19)30(26,27)24-11-13-28-14-12-24/h2-10,17,21H,11-16H2,1H3/t17-,21+/m0/s1
InChIKeyXTUCALHAKBTFKZ-LAUBAEHRSA-N
MW430.53 g/mol
LogP2.31
Rot. Bonds4

About [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 52535688) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID52535688
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C22H26N2O5S/c1-17-15-23(16-21(29-17)18-5-3-2-4-6-18)22(25)19-7-9-20(10-8-19)30(26,27)24-11-13-28-14-12-24/h2-10,17,21H,11-16H2,1H3/t17-,21+/m0/s1
InChIKeyXTUCALHAKBTFKZ-LAUBAEHRSA-N
XLogP2.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 47913591
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 52535688) is [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](c2ccccc2)O1.
What is the InChIKey of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is XTUCALHAKBTFKZ-LAUBAEHRSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-17-15-23(16-21(29-17)18-5-3-2-4-6-18)22(25)19-7-9-20(10-8-19)30(26,27)24-11-13-28-14-12-24/h2-10,17,21H,11-16H2,1H3/t17-,21+/m0/s1.
What are the key properties of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 430.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 52535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).