N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C19H20N2O2S — CID 17458334

IUPACN-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C2=CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-4-6-15(7-5-14)16-8-10-21(11-9-16)18(22)13-20-19(23)17-3-2-12-24-17/h2-8,12H,9-11,13H2,1H3,(H,20,23)
InChIKeyCMWRQOPDJJPNPZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.10
Rot. Bonds4

About N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 17458334) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID17458334
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C2=CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-4-6-15(7-5-14)16-8-10-21(11-9-16)18(22)13-20-19(23)17-3-2-12-24-17/h2-8,12H,9-11,13H2,1H3,(H,20,23)
InChIKeyCMWRQOPDJJPNPZ-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
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4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
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N-[2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thiophene-2-carboxamide
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N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
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N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
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N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
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ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
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N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
CID 124607970
N-[2-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9163541
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 17458334) is N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C2=CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CMWRQOPDJJPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-4-6-15(7-5-14)16-8-10-21(11-9-16)18(22)13-20-19(23)17-3-2-12-24-17/h2-8,12H,9-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17458334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).