2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate

C22H26N2O7S — CID 55934865

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O7S/c1-17(23-21(25)18-5-3-2-4-6-18)22(26)31-16-15-30-19-7-9-20(10-8-19)32(27,28)24-11-13-29-14-12-24/h2-10,17H,11-16H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyNIUKXQGAAVHIOR-KRWDZBQOSA-N
MW462.52 g/mol
LogP1.45
Rot. Bonds9

About 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate (PubChem CID 55934865) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
PubChem CID55934865
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O7S/c1-17(23-21(25)18-5-3-2-4-6-18)22(26)31-16-15-30-19-7-9-20(10-8-19)32(27,28)24-11-13-29-14-12-24/h2-10,17H,11-16H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyNIUKXQGAAVHIOR-KRWDZBQOSA-N
XLogP1.45
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate
CID 26971853

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate (CID 55934865) is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate?
The InChIKey is NIUKXQGAAVHIOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-17(23-21(25)18-5-3-2-4-6-18)22(26)31-16-15-30-19-7-9-20(10-8-19)32(27,28)24-11-13-29-14-12-24/h2-10,17H,11-16H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate?
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate has a molecular weight of 462.52 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate is sourced from PubChem (CID 55934865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).