(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide

C22H21NOS — CID 887285

IUPAC(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c24-22(14-13-20-12-7-17-25-20)23-16-15-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,17,21H,15-16H2,(H,23,24)/b14-13+
InChIKeyPMOGKLHFKUBNBZ-BUHFOSPRSA-N
MW347.48 g/mol
LogP5.10
Rot. Bonds7

About (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 887285) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID887285
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c24-22(14-13-20-12-7-17-25-20)23-16-15-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,17,21H,15-16H2,(H,23,24)/b14-13+
InChIKeyPMOGKLHFKUBNBZ-BUHFOSPRSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
CID 9483071
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide
CID 71804520
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
(E)-3-thiophen-2-yl-N-[2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2316494
(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
CID 15741719
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide (CID 887285) is (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PMOGKLHFKUBNBZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H21NOS/c24-22(14-13-20-12-7-17-25-20)23-16-15-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,17,21H,15-16H2,(H,23,24)/b14-13+.
What are the key properties of (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 347.48 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 887285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).