(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

C20H24N2OS — CID 9037388

IUPAC(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1cccs1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c1-16(20(23)21-12-9-19-8-5-15-24-19)22-13-10-18(11-14-22)17-6-3-2-4-7-17/h2-8,10,15-16H,9,11-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeySADVNVCTFLFJJO-MRXNPFEDSA-N
MW340.49 g/mol
LogP3.58
Rot. Bonds6

About (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 9037388) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID9037388
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1cccs1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c1-16(20(23)21-12-9-19-8-5-15-24-19)22-13-10-18(11-14-22)17-6-3-2-4-7-17/h2-8,10,15-16H,9,11-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeySADVNVCTFLFJJO-MRXNPFEDSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 166211283
N'-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263738
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495218
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 9037388) is (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is C[C@H](C(=O)NCCc1cccs1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is SADVNVCTFLFJJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16(20(23)21-12-9-19-8-5-15-24-19)22-13-10-18(11-14-22)17-6-3-2-4-7-17/h2-8,10,15-16H,9,11-14H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 340.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 9037388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).