4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C23H29N3O4S — CID 1138680

IUPAC4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O4S/c27-23(20-6-4-19(5-7-20)18-25-14-16-30-17-15-25)24-21-8-10-22(11-9-21)31(28,29)26-12-2-1-3-13-26/h4-11H,1-3,12-18H2,(H,24,27)
InChIKeySHCHLGFMIBGHBJ-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.95
Rot. Bonds6

About 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1138680) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1138680
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O4S/c27-23(20-6-4-19(5-7-20)18-25-14-16-30-17-15-25)24-21-8-10-22(11-9-21)31(28,29)26-12-2-1-3-13-26/h4-11H,1-3,12-18H2,(H,24,27)
InChIKeySHCHLGFMIBGHBJ-UHFFFAOYSA-N
XLogP2.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1138680) is 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is SHCHLGFMIBGHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(20-6-4-19(5-7-20)18-25-14-16-30-17-15-25)24-21-8-10-22(11-9-21)31(28,29)26-12-2-1-3-13-26/h4-11H,1-3,12-18H2,(H,24,27).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1138680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).