N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide

C18H27N3O4S — CID 4847616

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1ccc(NC(=O)CN2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-15-5-6-16(19-18(22)14-20-9-11-25-12-10-20)13-17(15)26(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)
InChIKeyGXDXEHLJTCDDRI-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.44
Rot. Bonds5

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide (PubChem CID 4847616) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
PubChem CID4847616
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1ccc(NC(=O)CN2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-15-5-6-16(19-18(22)14-20-9-11-25-12-10-20)13-17(15)26(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)
InChIKeyGXDXEHLJTCDDRI-UHFFFAOYSA-N
XLogP1.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide (CID 4847616) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide is Cc1ccc(NC(=O)CN2CCOCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide?
The InChIKey is GXDXEHLJTCDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-15-5-6-16(19-18(22)14-20-9-11-25-12-10-20)13-17(15)26(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide has a molecular weight of 381.50 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 4847616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).