(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid

C22H18N2O5 — CID 10362945

IUPAC(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESCC(=O)Nc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3)o2)C(=O)O)cc1
InChIInChI=1S/C22H18N2O5/c1-14(25)23-17-9-7-16(8-10-17)21(26)24-19(22(27)28)13-18-11-12-20(29-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/b19-13-
InChIKeyMMNQPYSNTWTTNS-UYRXBGFRSA-N
MW390.40 g/mol
LogP3.76
Rot. Bonds6

About (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid

(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (PubChem CID 10362945) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
PubChem CID10362945
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESCC(=O)Nc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3)o2)C(=O)O)cc1
InChIInChI=1S/C22H18N2O5/c1-14(25)23-17-9-7-16(8-10-17)21(26)24-19(22(27)28)13-18-11-12-20(29-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/b19-13-
InChIKeyMMNQPYSNTWTTNS-UYRXBGFRSA-N
XLogP3.76
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.76
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
N-[3-[4-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 74017507
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
CID 74063736
(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
N-[3-oxo-3-(4-phenacylsulfanylanilino)-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 74017485
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
4-[[2-[4-[[2-benzamido-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzamide
CID 74017504
N-[3-[4-[2-(4-iodoanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 74017508
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148599
N-[3-oxo-3-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylanilino]-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 74017460

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (CID 10362945) is (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is CC(=O)Nc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3)o2)C(=O)O)cc1.
What is the InChIKey of (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The InChIKey is MMNQPYSNTWTTNS-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-14(25)23-17-9-7-16(8-10-17)21(26)24-19(22(27)28)13-18-11-12-20(29-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/b19-13-.
What are the key properties of (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 10362945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).