(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid

C20H14FNO3S — CID 22148198

IUPAC(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2F)s1)NC(=O)c1ccccc1
InChIInChI=1S/C20H14FNO3S/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12+
InChIKeyRXCJGOHYKJHOOG-SFQUDFHCSA-N
MW367.40 g/mol
LogP4.41
Rot. Bonds5

About (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid

(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid (PubChem CID 22148198) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid
PubChem CID22148198
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC Name(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2F)s1)NC(=O)c1ccccc1
InChIInChI=1S/C20H14FNO3S/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12+
InChIKeyRXCJGOHYKJHOOG-SFQUDFHCSA-N
XLogP4.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.41
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

2-Benzoylamino-3-[5-(2-chloro-phenyl)-thiophen-2-yl]-acrylic acid
CID 6480676
2-Benzoylamino-3-(5-phenyl-thiophen-2-yl)-acrylic acid
CID 6480675
2-Benzoylamino-3-(5-o-tolyl-thiophen-2-yl)-acrylic acid
CID 6480678
2-Benzoylamino-3-[5-(2-fluoro-phenyl)-thiophen-2-yl]-acrylic acid
CID 6480680
2-Benzoylamino-3-[5-(2-hydroxymethyl-phenyl)-thiophen-2-yl]-acrylic acid
CID 6480692
methyl (Z)-2-benzamido-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 6014241
(Z)-3-[5-(2-chlorophenyl)-2-thienyl]-2-[(2-methylbenzoyl)amino]prop-2-enoic acid
CID 10386129
(Z)-3-[5-(2-chlorophenyl)-2-thienyl]-2-[(4-methylbenzoyl)amino]prop-2-enoic acid
CID 10408531
(Z)-3-[5-(2-chlorophenyl)-2-thienyl]-2-[(3-methylbenzoyl)amino]prop-2-enoic acid
CID 11741545
Methyl 1-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate
CID 32281999
7-(4-Fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylic acid
CID 10518523
4-(4-Fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
CID 10614368

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid (CID 22148198) is (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid is O=C(O)/C(=C\c1ccc(-c2ccccc2F)s1)NC(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid?
The InChIKey is RXCJGOHYKJHOOG-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H14FNO3S/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12+.
What are the key properties of (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid?
(E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid has a molecular weight of 367.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 22148198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).