(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide

C22H28N2O6S — CID 94016517

IUPAC(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C22H28N2O6S/c1-4-20(30-17-7-5-6-16(2)14-17)22(25)23-19-15-18(8-9-21(19)28-3)31(26,27)24-10-12-29-13-11-24/h5-9,14-15,20H,4,10-13H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyCXUUUHVANUQWID-HXUWFJFHSA-N
MW448.54 g/mol
LogP2.82
Rot. Bonds8

About (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide

(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide (PubChem CID 94016517) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
PubChem CID94016517
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C22H28N2O6S/c1-4-20(30-17-7-5-6-16(2)14-17)22(25)23-19-15-18(8-9-21(19)28-3)31(26,27)24-10-12-29-13-11-24/h5-9,14-15,20H,4,10-13H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyCXUUUHVANUQWID-HXUWFJFHSA-N
XLogP2.82
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 92675130
2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 4928494
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133162114
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 132612337
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
CID 92679610
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100756589
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide (CID 94016517) is (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC.
What is the InChIKey of (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is CXUUUHVANUQWID-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-4-20(30-17-7-5-6-16(2)14-17)22(25)23-19-15-18(8-9-21(19)28-3)31(26,27)24-10-12-29-13-11-24/h5-9,14-15,20H,4,10-13H2,1-3H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide?
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide has a molecular weight of 448.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 94016517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).