N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H19N3O3S2 — CID 2315676

IUPACN-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C16H19N3O3S2/c1-12-4-7-17-14(11-12)18-16(20)13-5-8-19(9-6-13)24(21,22)15-3-2-10-23-15/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,17,18,20)
InChIKeyMRDIEWDTVAHDKP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.49
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2315676) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2315676
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C16H19N3O3S2/c1-12-4-7-17-14(11-12)18-16(20)13-5-8-19(9-6-13)24(21,22)15-3-2-10-23-15/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,17,18,20)
InChIKeyMRDIEWDTVAHDKP-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43976795
1-(4-bromo-2-chlorophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816205
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2315676) is N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is MRDIEWDTVAHDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-4-7-17-14(11-12)18-16(20)13-5-8-19(9-6-13)24(21,22)15-3-2-10-23-15/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2315676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).