N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide

C19H24N2O3S2 — CID 3087198

IUPACN-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-26(23,24)20-17-6-4-15(5-7-17)19(22)16-8-11-21(12-9-16)13-10-18-3-2-14-25-18/h2-7,14,16,20H,8-13H2,1H3
InChIKeyRHFYPPIKIIGGOR-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.26
Rot. Bonds7

About N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide

N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide (PubChem CID 3087198) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
PubChem CID3087198
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-26(23,24)20-17-6-4-15(5-7-17)19(22)16-8-11-21(12-9-16)13-10-18-3-2-14-25-18/h2-7,14,16,20H,8-13H2,1H3
InChIKeyRHFYPPIKIIGGOR-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide (CID 3087198) is N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C2CCN(CCc3cccs3)CC2)cc1.
What is the InChIKey of N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
The InChIKey is RHFYPPIKIIGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-26(23,24)20-17-6-4-15(5-7-17)19(22)16-8-11-21(12-9-16)13-10-18-3-2-14-25-18/h2-7,14,16,20H,8-13H2,1H3.
What are the key properties of N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide?
N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide has a molecular weight of 392.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 3087198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).