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

C18H12N2O7 — CID 22148599

IUPAC(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H12N2O7/c21-17(15-8-9-16(27-15)20(24)25)19-13(18(22)23)10-12-6-7-14(26-12)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H,22,23)/b13-10+
InChIKeyXALOHWAGXDYFJZ-JLHYYAGUSA-N
MW368.30 g/mol
LogP3.30
Rot. Bonds6

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

(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (PubChem CID 22148599) has the molecular formula C18H12N2O7 and a molecular weight of 368.30 g/mol. Its IUPAC name is (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
PubChem CID22148599
Molecular FormulaC18H12N2O7
Molecular Weight368.30 g/mol
Exact Mass368.06
IUPAC Name(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H12N2O7/c21-17(15-8-9-16(27-15)20(24)25)19-13(18(22)23)10-12-6-7-14(26-12)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H,22,23)/b13-10+
InChIKeyXALOHWAGXDYFJZ-JLHYYAGUSA-N
XLogP3.30
TPSA135.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148076
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
CID 74063736
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945
(Z)-3-[5-(2-chlorophenyl)thiophen-2-yl]-2-[(5-nitrofuran-2-carbonyl)amino]prop-2-enoic acid
CID 58631939
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860
N-[(Z)-3-[(4-methylphenyl)methylamino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 2131805
N-[3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 1106740
N-[(Z)-3-(dimethylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 2188248

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (CID 22148599) is (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The InChIKey is XALOHWAGXDYFJZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H12N2O7/c21-17(15-8-9-16(27-15)20(24)25)19-13(18(22)23)10-12-6-7-14(26-12)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H,22,23)/b13-10+.
What are the key properties of (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid has a molecular weight of 368.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 22148599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).