2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide

C24H32N4O5S — CID 4850293

IUPAC2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C24H32N4O5S/c1-26-8-10-27(11-9-26)23-7-6-21(34(30,31)28-12-14-33-15-13-28)18-22(23)25-24(29)17-19-4-3-5-20(16-19)32-2/h3-7,16,18H,8-15,17H2,1-2H3,(H,25,29)
InChIKeyDLMZPLGLLKQNJQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP1.65
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide

2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide (PubChem CID 4850293) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
PubChem CID4850293
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C24H32N4O5S/c1-26-8-10-27(11-9-26)23-7-6-21(34(30,31)28-12-14-33-15-13-28)18-22(23)25-24(29)17-19-4-3-5-20(16-19)32-2/h3-7,16,18H,8-15,17H2,1-2H3,(H,25,29)
InChIKeyDLMZPLGLLKQNJQ-UHFFFAOYSA-N
XLogP1.65
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
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-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
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
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 4968881
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide (CID 4850293) is 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide is COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The InChIKey is DLMZPLGLLKQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-26-8-10-27(11-9-26)23-7-6-21(34(30,31)28-12-14-33-15-13-28)18-22(23)25-24(29)17-19-4-3-5-20(16-19)32-2/h3-7,16,18H,8-15,17H2,1-2H3,(H,25,29).
What are the key properties of 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide?
2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide has a molecular weight of 488.61 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide is sourced from PubChem (CID 4850293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).