N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C17H20N2O3S — CID 95990597

IUPACN-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@@H]1CCN(C(=O)CNC(=O)c2cccs2)[C@H](c2ccco2)C1
InChIInChI=1S/C17H20N2O3S/c1-12-6-7-19(13(10-12)14-4-2-8-22-14)16(20)11-18-17(21)15-5-3-9-23-15/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,18,21)/t12-,13+/m1/s1
InChIKeyXAMGBVLRNAXORH-OLZOCXBDSA-N
MW332.43 g/mol
LogP3.07
Rot. Bonds4

About N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 95990597) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID95990597
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@@H]1CCN(C(=O)CNC(=O)c2cccs2)[C@H](c2ccco2)C1
InChIInChI=1S/C17H20N2O3S/c1-12-6-7-19(13(10-12)14-4-2-8-22-14)16(20)11-18-17(21)15-5-3-9-23-15/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,18,21)/t12-,13+/m1/s1
InChIKeyXAMGBVLRNAXORH-OLZOCXBDSA-N
XLogP3.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
CID 71989320
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
CID 124692737
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 23461482
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17473150
N-cyclopropyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 136526356
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 99106920
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 95990597) is N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is C[C@@H]1CCN(C(=O)CNC(=O)c2cccs2)[C@H](c2ccco2)C1.
What is the InChIKey of N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XAMGBVLRNAXORH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-6-7-19(13(10-12)14-4-2-8-22-14)16(20)11-18-17(21)15-5-3-9-23-15/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,18,21)/t12-,13+/m1/s1.
What are the key properties of N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95990597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).