4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine

C20H24N2O4S — CID 110316268

IUPAC4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1C
InChIInChI=1S/C20H24N2O4S/c1-15-13-18(4-6-20(15)25-2)27(23,24)22-8-7-16-14-17(3-5-19(16)22)21-9-11-26-12-10-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyPCECTVWHINBGNK-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.59
Rot. Bonds4

About 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine

4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine (PubChem CID 110316268) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
PubChem CID110316268
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1C
InChIInChI=1S/C20H24N2O4S/c1-15-13-18(4-6-20(15)25-2)27(23,24)22-8-7-16-14-17(3-5-19(16)22)21-9-11-26-12-10-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyPCECTVWHINBGNK-UHFFFAOYSA-N
XLogP2.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316144
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
CID 110316148
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316150
4-[[5-(4-methoxyphenyl)-2,3-dihydroindol-1-yl]sulfonyl]-2-methylphenol
CID 149004728
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
The IUPAC name of 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine (CID 110316268) is 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
The canonical SMILES for 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine is COc1ccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1C.
What is the InChIKey of 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
The InChIKey is PCECTVWHINBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-13-18(4-6-20(15)25-2)27(23,24)22-8-7-16-14-17(3-5-19(16)22)21-9-11-26-12-10-21/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine has a molecular weight of 388.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine is sourced from PubChem (CID 110316268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).