N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O3S2 — CID 4810492

IUPACN-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-4-6-15(7-5-14)13-19-18(21)16-8-10-20(11-9-16)25(22,23)17-3-2-12-24-17/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)
InChIKeyJYCOEYQRWAWQBF-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4810492) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4810492
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-4-6-15(7-5-14)13-19-18(21)16-8-10-20(11-9-16)25(22,23)17-3-2-12-24-17/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)
InChIKeyJYCOEYQRWAWQBF-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55575715
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 36527366
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
N-[(4-methylphenyl)methyl]-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028335
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 49082877
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4810492) is N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JYCOEYQRWAWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-4-6-15(7-5-14)13-19-18(21)16-8-10-20(11-9-16)25(22,23)17-3-2-12-24-17/h2-7,12,16H,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4810492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).