2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C28H31N3O7S2 — CID 43875105

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H31N3O7S2/c1-21-18-25(40(35,36)31-13-12-23-4-2-3-5-26(23)31)10-11-27(21)38-20-28(32)29-19-22-6-8-24(9-7-22)39(33,34)30-14-16-37-17-15-30/h2-11,18H,12-17,19-20H2,1H3,(H,29,32)
InChIKeyUMVMAXUEXNNIIJ-UHFFFAOYSA-N
MW585.70 g/mol
LogP2.46
Rot. Bonds9

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43875105) has the molecular formula C28H31N3O7S2 and a molecular weight of 585.70 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID43875105
Molecular FormulaC28H31N3O7S2
Molecular Weight585.70 g/mol
Exact Mass585.16
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C28H31N3O7S2/c1-21-18-25(40(35,36)31-13-12-23-4-2-3-5-26(23)31)10-11-27(21)38-20-28(32)29-19-22-6-8-24(9-7-22)39(33,34)30-14-16-37-17-15-30/h2-11,18H,12-17,19-20H2,1H3,(H,29,32)
InChIKeyUMVMAXUEXNNIIJ-UHFFFAOYSA-N
XLogP2.46
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 100796537
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
2-(4-bromo-2-methylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 3482740
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555210
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555231
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555218
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 6495060
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7425655
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 43875105) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is UMVMAXUEXNNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O7S2/c1-21-18-25(40(35,36)31-13-12-23-4-2-3-5-26(23)31)10-11-27(21)38-20-28(32)29-19-22-6-8-24(9-7-22)39(33,34)30-14-16-37-17-15-30/h2-11,18H,12-17,19-20H2,1H3,(H,29,32).
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 585.70 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43875105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).