(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone

C22H27N3O5S — CID 1087791

IUPAC(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O5S/c1-29-20-8-7-18(17-21(20)31(27,28)25-13-15-30-16-14-25)22(26)24-11-9-23(10-12-24)19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3
InChIKeyXJOMVQVQJZRTSB-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.68
Rot. Bonds5

About (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1087791) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1087791
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O5S/c1-29-20-8-7-18(17-21(20)31(27,28)25-13-15-30-16-14-25)22(26)24-11-9-23(10-12-24)19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3
InChIKeyXJOMVQVQJZRTSB-UHFFFAOYSA-N
XLogP1.68
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 1087791) is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XJOMVQVQJZRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-29-20-8-7-18(17-21(20)31(27,28)25-13-15-30-16-14-25)22(26)24-11-9-23(10-12-24)19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3.
What are the key properties of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 445.54 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1087791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).