N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C23H22N2O2S — CID 100551515

IUPACN-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESC[C@H](CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O2S/c1-17(18-9-4-2-5-10-18)16-24-23(27)21(15-20-13-8-14-28-20)25-22(26)19-11-6-3-7-12-19/h2-15,17H,16H2,1H3,(H,24,27)(H,25,26)/b21-15-/t17-/m1/s1
InChIKeyPFKJLEUWGLPQEG-VKZJTJHYSA-N
MW390.51 g/mol
LogP4.44
Rot. Bonds7

About N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 100551515) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID100551515
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESC[C@H](CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O2S/c1-17(18-9-4-2-5-10-18)16-24-23(27)21(15-20-13-8-14-28-20)25-22(26)19-11-6-3-7-12-19/h2-15,17H,16H2,1H3,(H,24,27)(H,25,26)/b21-15-/t17-/m1/s1
InChIKeyPFKJLEUWGLPQEG-VKZJTJHYSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-[3-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 139228872
N-[(Z)-3-[[(2R)-2-ethylhexyl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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N-[(Z)-3-(2-ethylhexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
CID 783464
N-[3-[2-[2-[(2-benzamido-3-thiophen-2-ylprop-2-enoyl)hydrazinylidene]ethylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3093250
(2R)-2-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]-3-phenylpropanoic acid
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N-[(Z)-3-(benzylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-chlorobenzamide
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N-[3-(diethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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N-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 100551515) is N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is C[C@H](CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is PFKJLEUWGLPQEG-VKZJTJHYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17(18-9-4-2-5-10-18)16-24-23(27)21(15-20-13-8-14-28-20)25-22(26)19-11-6-3-7-12-19/h2-15,17H,16H2,1H3,(H,24,27)(H,25,26)/b21-15-/t17-/m1/s1.
What are the key properties of N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxo-3-[[(2S)-2-phenylpropyl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 100551515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).