2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate

C22H24N2O6S — CID 26971853

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C22H24N2O6S/c1-23-16-20(19-4-2-3-5-21(19)23)22(25)30-15-14-29-17-6-8-18(9-7-17)31(26,27)24-10-12-28-13-11-24/h2-9,16H,10-15H2,1H3
InChIKeyRARATCCPNCVVKW-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.43
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate (PubChem CID 26971853) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate
PubChem CID26971853
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C22H24N2O6S/c1-23-16-20(19-4-2-3-5-21(19)23)22(25)30-15-14-29-17-6-8-18(9-7-17)31(26,27)24-10-12-28-13-11-24/h2-9,16H,10-15H2,1H3
InChIKeyRARATCCPNCVVKW-UHFFFAOYSA-N
XLogP2.43
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
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-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
CID 27198916
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
CID 3514261
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate (CID 26971853) is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate is Cn1cc(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate?
The InChIKey is RARATCCPNCVVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-23-16-20(19-4-2-3-5-21(19)23)22(25)30-15-14-29-17-6-8-18(9-7-17)31(26,27)24-10-12-28-13-11-24/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate?
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate has a molecular weight of 444.51 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate is sourced from PubChem (CID 26971853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).