2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide

C25H30N4O5S — CID 16566391

IUPAC2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C25H30N4O5S/c1-19-16-20-4-2-3-5-23(20)29(19)18-25(30)26-22-17-21(35(31,32)28-10-14-34-15-11-28)6-7-24(22)27-8-12-33-13-9-27/h2-7,16-17H,8-15,18H2,1H3,(H,26,30)
InChIKeyLMKKKNBXTNAIBA-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.45
Rot. Bonds6

About 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16566391) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16566391
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C25H30N4O5S/c1-19-16-20-4-2-3-5-23(20)29(19)18-25(30)26-22-17-21(35(31,32)28-10-14-34-15-11-28)6-7-24(22)27-8-12-33-13-9-27/h2-7,16-17H,8-15,18H2,1H3,(H,26,30)
InChIKeyLMKKKNBXTNAIBA-UHFFFAOYSA-N
XLogP2.45
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414866
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
CID 4849659
2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 16566576
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 5146120
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 41124206

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 16566391) is 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1cc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is LMKKKNBXTNAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-19-16-20-4-2-3-5-23(20)29(19)18-25(30)26-22-17-21(35(31,32)28-10-14-34-15-11-28)6-7-24(22)27-8-12-33-13-9-27/h2-7,16-17H,8-15,18H2,1H3,(H,26,30).
What are the key properties of 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16566391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).