N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide

C25H31N3O5S — CID 2975190

IUPACN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H31N3O5S/c1-18-6-5-7-19(2)28(18)34(31,32)21-12-10-20(11-13-21)26-24(29)22-8-3-4-9-23(22)25(30)27-14-16-33-17-15-27/h3-4,8-13,18-19H,5-7,14-17H2,1-2H3,(H,26,29)
InChIKeySNLILFFVQKMFPK-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.36
Rot. Bonds5

About N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide (PubChem CID 2975190) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide
PubChem CID2975190
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H31N3O5S/c1-18-6-5-7-19(2)28(18)34(31,32)21-12-10-20(11-13-21)26-24(29)22-8-3-4-9-23(22)25(30)27-14-16-33-17-15-27/h3-4,8-13,18-19H,5-7,14-17H2,1-2H3,(H,26,29)
InChIKeySNLILFFVQKMFPK-UHFFFAOYSA-N
XLogP3.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide (CID 2975190) is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide?
The InChIKey is SNLILFFVQKMFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-18-6-5-7-19(2)28(18)34(31,32)21-12-10-20(11-13-21)26-24(29)22-8-3-4-9-23(22)25(30)27-14-16-33-17-15-27/h3-4,8-13,18-19H,5-7,14-17H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide?
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide has a molecular weight of 485.61 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 2975190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).