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

C23H30N2O6S — CID 92675130

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C23H30N2O6S/c1-5-20(31-21-8-6-7-16(2)17(21)3)23(26)24-19-15-18(9-10-22(19)29-4)32(27,28)25-11-13-30-14-12-25/h6-10,15,20H,5,11-14H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKeyFEXUPAXAYCLRQQ-HXUWFJFHSA-N
MW462.57 g/mol
LogP3.13
Rot. Bonds8

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

(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 92675130) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID92675130
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C23H30N2O6S/c1-5-20(31-21-8-6-7-16(2)17(21)3)23(26)24-19-15-18(9-10-22(19)29-4)32(27,28)25-11-13-30-14-12-25/h6-10,15,20H,5,11-14H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKeyFEXUPAXAYCLRQQ-HXUWFJFHSA-N
XLogP3.13
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 94016517
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133162114
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 132612337
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43876383
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133202561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide (CID 92675130) is (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is FEXUPAXAYCLRQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-5-20(31-21-8-6-7-16(2)17(21)3)23(26)24-19-15-18(9-10-22(19)29-4)32(27,28)25-11-13-30-14-12-25/h6-10,15,20H,5,11-14H2,1-4H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 462.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 92675130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).