(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid

C20H15NO5 — CID 22148090

IUPAC(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1cccc(O)c1
InChIInChI=1S/C20H15NO5/c22-15-8-4-7-14(11-15)19(23)21-17(20(24)25)12-16-9-10-18(26-16)13-5-2-1-3-6-13/h1-12,22H,(H,21,23)(H,24,25)/b17-12+
InChIKeyUWKMCDNTMJYSSQ-SFQUDFHCSA-N
MW349.34 g/mol
LogP3.51
Rot. Bonds5

About (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid

(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (PubChem CID 22148090) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
PubChem CID22148090
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1cccc(O)c1
InChIInChI=1S/C20H15NO5/c22-15-8-4-7-14(11-15)19(23)21-17(20(24)25)12-16-9-10-18(26-16)13-5-2-1-3-6-13/h1-12,22H,(H,21,23)(H,24,25)/b17-12+
InChIKeyUWKMCDNTMJYSSQ-SFQUDFHCSA-N
XLogP3.51
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148076
(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945
2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
CID 74063736
2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 76823927
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148599
N-[(Z)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 124657322
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 19057688
N-[(Z)-3-(dimethylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 2188248
N-[3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 3095852

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (CID 22148090) is (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1cccc(O)c1.
What is the InChIKey of (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The InChIKey is UWKMCDNTMJYSSQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H15NO5/c22-15-8-4-7-14(11-15)19(23)21-17(20(24)25)12-16-9-10-18(26-16)13-5-2-1-3-6-13/h1-12,22H,(H,21,23)(H,24,25)/b17-12+.
What are the key properties of (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid has a molecular weight of 349.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 22148090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).