1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide

C24H26N2O3S2 — CID 67246978

IUPAC1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1)c1cccs1
InChIInChI=1S/C24H26N2O3S2/c1-18(23-13-8-16-30-23)25-24(27)20-14-15-22(19-9-4-2-5-10-19)26(17-20)31(28,29)21-11-6-3-7-12-21/h2-13,16,18,20,22H,14-15,17H2,1H3,(H,25,27)
InChIKeyLDPSUNRADJHQMV-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.77
Rot. Bonds6

About 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide (PubChem CID 67246978) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
PubChem CID67246978
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1)c1cccs1
InChIInChI=1S/C24H26N2O3S2/c1-18(23-13-8-16-30-23)25-24(27)20-14-15-22(19-9-4-2-5-10-19)26(17-20)31(28,29)21-11-6-3-7-12-21/h2-13,16,18,20,22H,14-15,17H2,1H3,(H,25,27)
InChIKeyLDPSUNRADJHQMV-UHFFFAOYSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 67246912
[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 75989747
1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 46041424
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 67254189
(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 53245887
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
3-azabicyclo[3.1.0]hexan-3-yl-[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 75989180

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide (CID 67246978) is 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1)c1cccs1.
What is the InChIKey of 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is LDPSUNRADJHQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-18(23-13-8-16-30-23)25-24(27)20-14-15-22(19-9-4-2-5-10-19)26(17-20)31(28,29)21-11-6-3-7-12-21/h2-13,16,18,20,22H,14-15,17H2,1H3,(H,25,27).
What are the key properties of 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 67246978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).