N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O3S2 — CID 4089363

IUPACN-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-7-8-16(14(2)11-13)19-18(21)15-5-3-9-20(12-15)25(22,23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyMXCFJTBJKKCTCN-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.40
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4089363) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID4089363
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-7-8-16(14(2)11-13)19-18(21)15-5-3-9-20(12-15)25(22,23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyMXCFJTBJKKCTCN-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 4089363) is N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MXCFJTBJKKCTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-7-8-16(14(2)11-13)19-18(21)15-5-3-9-20(12-15)25(22,23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 4089363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).