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

C16H20N2O4S2 — CID 3241846

IUPACN-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1
InChIInChI=1S/C16H20N2O4S2/c1-12-4-5-14(22-12)11-17-16(19)13-6-8-18(9-7-13)24(20,21)15-3-2-10-23-15/h2-5,10,13H,6-9,11H2,1H3,(H,17,19)
InChIKeyHQUNLQKPFPVEDE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.37
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3241846) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3241846
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1
InChIInChI=1S/C16H20N2O4S2/c1-12-4-5-14(22-12)11-17-16(19)13-6-8-18(9-7-13)24(20,21)15-3-2-10-23-15/h2-5,10,13H,6-9,11H2,1H3,(H,17,19)
InChIKeyHQUNLQKPFPVEDE-UHFFFAOYSA-N
XLogP2.37
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 3243073
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2507180
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
N-[(2S)-1-[(furan-2-ylmethyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 662300
1-(2-Furoyl)-4-(2-thienylsulfonyl)piperazine
CID 756358
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206934
3-[(5-bromothien-2-yl)sulfonyl]-N-[(5-methyl-2-furyl)methyl]propanamide
CID 3242257
N~1~-(2-furylmethyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3242742
5-{[(4-methylbenzyl)sulfonyl]methyl}-N-(thien-2-ylmethyl)-2-furamide
CID 3674389
5-{[(3-methylbenzyl)sulfonyl]methyl}-N-(thien-2-ylmethyl)-2-furamide
CID 4107620
N-(furan-2-ylmethyl)-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide
CID 6473222
5-{[(2-ethylphenyl)sulfonyl]methyl}-N-(thien-2-ylmethyl)-2-furamide
CID 16195605

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 3241846) is N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HQUNLQKPFPVEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-12-4-5-14(22-12)11-17-16(19)13-6-8-18(9-7-13)24(20,21)15-3-2-10-23-15/h2-5,10,13H,6-9,11H2,1H3,(H,17,19).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3241846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).