2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid

C20H19NO2S2 — CID 10155970

IUPAC2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid
SMILESCN(C/C=C(/c1ccc(-c2ccsc2)cc1)c1cccs1)CC(=O)O
InChIInChI=1S/C20H19NO2S2/c1-21(13-20(22)23)10-8-18(19-3-2-11-25-19)16-6-4-15(5-7-16)17-9-12-24-14-17/h2-9,11-12,14H,10,13H2,1H3,(H,22,23)/b18-8-
InChIKeyFTQWYMOYJRLUFC-LSCVHKIXSA-N
MW369.51 g/mol
LogP4.92
Rot. Bonds7

About 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid

2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid (PubChem CID 10155970) has the molecular formula C20H19NO2S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid
PubChem CID10155970
Molecular FormulaC20H19NO2S2
Molecular Weight369.51 g/mol
Exact Mass369.09
IUPAC Name2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid
SMILESCN(C/C=C(/c1ccc(-c2ccsc2)cc1)c1cccs1)CC(=O)O
InChIInChI=1S/C20H19NO2S2/c1-21(13-20(22)23)10-8-18(19-3-2-11-25-19)16-6-4-15(5-7-16)17-9-12-24-14-17/h2-9,11-12,14H,10,13H2,1H3,(H,22,23)/b18-8-
InChIKeyFTQWYMOYJRLUFC-LSCVHKIXSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid (CID 10155970) is 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid is CN(C/C=C(/c1ccc(-c2ccsc2)cc1)c1cccs1)CC(=O)O.
What is the InChIKey of 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid?
The InChIKey is FTQWYMOYJRLUFC-LSCVHKIXSA-N. The full InChI is InChI=1S/C20H19NO2S2/c1-21(13-20(22)23)10-8-18(19-3-2-11-25-19)16-6-4-15(5-7-16)17-9-12-24-14-17/h2-9,11-12,14H,10,13H2,1H3,(H,22,23)/b18-8-.
What are the key properties of 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid?
2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid has a molecular weight of 369.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(Z)-3-thiophen-2-yl-3-(4-thiophen-3-ylphenyl)prop-2-enyl]amino]acetic acid is sourced from PubChem (CID 10155970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).