N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C15H22N2O4S — CID 18169006

IUPACN-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCONC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-3-21-16-15(18)13-8-7-12(2)14(11-13)22(19,20)17-9-5-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyZKQUYFCYRFLWPB-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.85
Rot. Bonds5

About N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18169006) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18169006
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCONC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-3-21-16-15(18)13-8-7-12(2)14(11-13)22(19,20)17-9-5-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyZKQUYFCYRFLWPB-UHFFFAOYSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119571735
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
N-[2-(2,2-diethoxyethoxy)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 99797773

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 18169006) is N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide is CCONC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZKQUYFCYRFLWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-16-15(18)13-8-7-12(2)14(11-13)22(19,20)17-9-5-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18169006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).