N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide

C17H18N2O2S2 — CID 2909276

IUPACN-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(=Cc1cccs1)C(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C17H18N2O2S2/c20-16(15-7-5-11-23-15)18-14(12-13-6-4-10-22-13)17(21)19-8-2-1-3-9-19/h4-7,10-12H,1-3,8-9H2,(H,18,20)
InChIKeyBIQDQRNUHWPBGQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.59
Rot. Bonds4

About N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide

N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide (PubChem CID 2909276) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide
PubChem CID2909276
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(=Cc1cccs1)C(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C17H18N2O2S2/c20-16(15-7-5-11-23-15)18-14(12-13-6-4-10-22-13)17(21)19-8-2-1-3-9-19/h4-7,10-12H,1-3,8-9H2,(H,18,20)
InChIKeyBIQDQRNUHWPBGQ-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6537272
N-[3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 1100441
N-[(Z)-3-oxo-3-pyrrolidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 7918742
N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 2262557
N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 7386626
1-(azepan-1-yl)-2-thiophen-2-ylethane-1,2-dione
CID 82116951
ethyl 4-(2-benzamido-3-thiophen-2-ylprop-2-enoyl)piperazine-1-carboxylate
CID 997455
4-methoxy-N-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 7005428
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
(2-oxo-2-piperidin-1-ylethyl) (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2363001
N-[(E)-3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 2191385
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide (CID 2909276) is N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide is O=C(NC(=Cc1cccs1)C(=O)N1CCCCC1)c1cccs1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide?
The InChIKey is BIQDQRNUHWPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c20-16(15-7-5-11-23-15)18-14(12-13-6-4-10-22-13)17(21)19-8-2-1-3-9-19/h4-7,10-12H,1-3,8-9H2,(H,18,20).
What are the key properties of N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide?
N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2909276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).