3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide

C20H32N2O5S — CID 55407954

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C20H32N2O5S/c1-16-12-17(2)15-22(14-16)28(24,25)19-7-4-6-18(13-19)20(23)21-8-5-9-27-11-10-26-3/h4,6-7,13,16-17H,5,8-12,14-15H2,1-3H3,(H,21,23)
InChIKeyKSADBZLSKCIGBI-UHFFFAOYSA-N
MW412.55 g/mol
LogP2.14
Rot. Bonds10

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 55407954) has the molecular formula C20H32N2O5S and a molecular weight of 412.55 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
PubChem CID55407954
Molecular FormulaC20H32N2O5S
Molecular Weight412.55 g/mol
Exact Mass412.20
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C20H32N2O5S/c1-16-12-17(2)15-22(14-16)28(24,25)19-7-4-6-18(13-19)20(23)21-8-5-9-27-11-10-26-3/h4,6-7,13,16-17H,5,8-12,14-15H2,1-3H3,(H,21,23)
InChIKeyKSADBZLSKCIGBI-UHFFFAOYSA-N
XLogP2.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533218
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 3434532
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407992
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)propyl]benzamide
CID 120829858
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16548990
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 55407954) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The InChIKey is KSADBZLSKCIGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5S/c1-16-12-17(2)15-22(14-16)28(24,25)19-7-4-6-18(13-19)20(23)21-8-5-9-27-11-10-26-3/h4,6-7,13,16-17H,5,8-12,14-15H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 412.55 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 55407954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).