N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H22N2O4S2 — CID 27780624

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1
InChIInChI=1S/C17H22N2O4S2/c1-13-5-6-15(23-13)12-18(2)17(20)14-7-9-19(10-8-14)25(21,22)16-4-3-11-24-16/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyNKDMKNSNNPTHLA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 27780624) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID27780624
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1
InChIInChI=1S/C17H22N2O4S2/c1-13-5-6-15(23-13)12-18(2)17(20)14-7-9-19(10-8-14)25(21,22)16-4-3-11-24-16/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyNKDMKNSNNPTHLA-UHFFFAOYSA-N
XLogP2.71
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9468233
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24639156
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24502988
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 51188882
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680241

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 27780624) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NKDMKNSNNPTHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-13-5-6-15(23-13)12-18(2)17(20)14-7-9-19(10-8-14)25(21,22)16-4-3-11-24-16/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27780624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).