N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O3S2 — CID 4810593

IUPACN-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-5-6-16(14(2)12-13)19-18(21)15-7-9-20(10-8-15)25(22,23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,21)
InChIKeyBPIMPUGJAKTKQI-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.40
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4810593) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4810593
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-5-6-16(14(2)12-13)19-18(21)15-7-9-20(10-8-15)25(22,23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,21)
InChIKeyBPIMPUGJAKTKQI-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28631738
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(2-methoxy-4-nitrophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830547
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55920459
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-[5-chloro-2-(dimethylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55336383

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4810593) is N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is BPIMPUGJAKTKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-5-6-16(14(2)12-13)19-18(21)15-7-9-20(10-8-15)25(22,23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4810593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).