2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C24H32N4O5S — CID 4966309

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H32N4O5S/c1-19(26-11-13-27(14-12-26)22-5-3-4-6-23(22)32-2)24(29)25-20-7-9-21(10-8-20)34(30,31)28-15-17-33-18-16-28/h3-10,19H,11-18H2,1-2H3,(H,25,29)
InChIKeyOMZPDYCJCHQSJB-UHFFFAOYSA-N
MW488.61 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4966309) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4966309
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H32N4O5S/c1-19(26-11-13-27(14-12-26)22-5-3-4-6-23(22)32-2)24(29)25-20-7-9-21(10-8-20)34(30,31)28-15-17-33-18-16-28/h3-10,19H,11-18H2,1-2H3,(H,25,29)
InChIKeyOMZPDYCJCHQSJB-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 4966309) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccccc1N1CCN(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is OMZPDYCJCHQSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-19(26-11-13-27(14-12-26)22-5-3-4-6-23(22)32-2)24(29)25-20-7-9-21(10-8-20)34(30,31)28-15-17-33-18-16-28/h3-10,19H,11-18H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 488.61 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4966309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).