N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H24N2O3S2 — CID 18092989

IUPACN-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O3S2/c1-15(16-7-3-2-4-8-16)13-20-19(22)17-9-5-11-21(14-17)26(23,24)18-10-6-12-25-18/h2-4,6-8,10,12,15,17H,5,9,11,13-14H2,1H3,(H,20,22)
InChIKeyDPAFBLUFQAYEAV-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.07
Rot. Bonds6

About N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 18092989) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID18092989
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O3S2/c1-15(16-7-3-2-4-8-16)13-20-19(22)17-9-5-11-21(14-17)26(23,24)18-10-6-12-25-18/h2-4,6-8,10,12,15,17H,5,9,11,13-14H2,1H3,(H,20,22)
InChIKeyDPAFBLUFQAYEAV-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 18092989) is N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(CNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DPAFBLUFQAYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15(16-7-3-2-4-8-16)13-20-19(22)17-9-5-11-21(14-17)26(23,24)18-10-6-12-25-18/h2-4,6-8,10,12,15,17H,5,9,11,13-14H2,1H3,(H,20,22).
What are the key properties of N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 18092989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).