2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide

C19H29N3O4S — CID 2333464

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H29N3O4S/c1-16-5-6-17(27(24,25)22-8-3-2-4-9-22)15-18(16)19(23)20-7-10-21-11-13-26-14-12-21/h5-6,15H,2-4,7-14H2,1H3,(H,20,23)
InChIKeyCVGJAQNRORHOQI-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.23
Rot. Bonds6

About 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2333464) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2333464
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H29N3O4S/c1-16-5-6-17(27(24,25)22-8-3-2-4-9-22)15-18(16)19(23)20-7-10-21-11-13-26-14-12-21/h5-6,15H,2-4,7-14H2,1H3,(H,20,23)
InChIKeyCVGJAQNRORHOQI-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide (CID 2333464) is 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CVGJAQNRORHOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-16-5-6-17(27(24,25)22-8-3-2-4-9-22)15-18(16)19(23)20-7-10-21-11-13-26-14-12-21/h5-6,15H,2-4,7-14H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 395.53 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2333464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).