N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

C19H31N3O3S — CID 3236037

IUPACN-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)c2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-13-8-9-17(16-22)19(23)20-12-14-21(4-2)18-10-6-5-7-11-18/h5-7,10-11,17H,3-4,8-9,12-16H2,1-2H3,(H,20,23)
InChIKeyCWYBUEOAUMLDNA-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.08
Rot. Bonds9

About N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3236037) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3236037
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)c2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-13-8-9-17(16-22)19(23)20-12-14-21(4-2)18-10-6-5-7-11-18/h5-7,10-11,17H,3-4,8-9,12-16H2,1-2H3,(H,20,23)
InChIKeyCWYBUEOAUMLDNA-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3236037) is N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)c2ccccc2)C1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is CWYBUEOAUMLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-13-8-9-17(16-22)19(23)20-12-14-21(4-2)18-10-6-5-7-11-18/h5-7,10-11,17H,3-4,8-9,12-16H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3236037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).