3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

C26H29N5O4S — CID 2953969

IUPAC3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H29N5O4S/c32-26(28-22-6-2-1-3-7-22)21-9-10-23(24(20-21)36(33,34)31-16-18-35-19-17-31)29-12-14-30(15-13-29)25-8-4-5-11-27-25/h1-11,20H,12-19H2,(H,28,32)
InChIKeyLFUIYCUAYNHKOU-UHFFFAOYSA-N
MW507.62 g/mol
LogP2.68
Rot. Bonds6

About 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide (PubChem CID 2953969) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
PubChem CID2953969
Molecular FormulaC26H29N5O4S
Molecular Weight507.62 g/mol
Exact Mass507.19
IUPAC Name3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H29N5O4S/c32-26(28-22-6-2-1-3-7-22)21-9-10-23(24(20-21)36(33,34)31-16-18-35-19-17-31)29-12-14-30(15-13-29)25-8-4-5-11-27-25/h1-11,20H,12-19H2,(H,28,32)
InChIKeyLFUIYCUAYNHKOU-UHFFFAOYSA-N
XLogP2.68
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide (CID 2953969) is 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide is O=C(Nc1ccccc1)c1ccc(N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide?
The InChIKey is LFUIYCUAYNHKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c32-26(28-22-6-2-1-3-7-22)21-9-10-23(24(20-21)36(33,34)31-16-18-35-19-17-31)29-12-14-30(15-13-29)25-8-4-5-11-27-25/h1-11,20H,12-19H2,(H,28,32).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide has a molecular weight of 507.62 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 2953969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).