2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide

C21H29Cl2N3O5S — CID 11699068

IUPAC2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
InChIKeyFQNRAIQUCSDYQF-UHFFFAOYSA-N
MW506.45 g/mol
LogP2.40
Rot. Bonds7

About 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide

2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide (PubChem CID 11699068) has the molecular formula C21H29Cl2N3O5S and a molecular weight of 506.45 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
PubChem CID11699068
Molecular FormulaC21H29Cl2N3O5S
Molecular Weight506.45 g/mol
Exact Mass505.12
IUPAC Name2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
InChIKeyFQNRAIQUCSDYQF-UHFFFAOYSA-N
XLogP2.40
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide (CID 11699068) is 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The InChIKey is FQNRAIQUCSDYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27).
What are the key properties of 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide has a molecular weight of 506.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(morpholine-4-carbonyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 11699068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).