N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C22H30N2O3S — CID 17466005

IUPACN-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H30N2O3S/c1-3-5-14-23(4-2)22(25)19-12-15-24(16-13-19)28(26,27)21-11-10-18-8-6-7-9-20(18)17-21/h6-11,17,19H,3-5,12-16H2,1-2H3
InChIKeyRUNOLPNMSJQYEI-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.89
Rot. Bonds7

About N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 17466005) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID17466005
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H30N2O3S/c1-3-5-14-23(4-2)22(25)19-12-15-24(16-13-19)28(26,27)21-11-10-18-8-6-7-9-20(18)17-21/h6-11,17,19H,3-5,12-16H2,1-2H3
InChIKeyRUNOLPNMSJQYEI-UHFFFAOYSA-N
XLogP3.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 17466005) is N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is RUNOLPNMSJQYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-5-14-23(4-2)22(25)19-12-15-24(16-13-19)28(26,27)21-11-10-18-8-6-7-9-20(18)17-21/h6-11,17,19H,3-5,12-16H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17466005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).