(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide

C21H19N3O3 — CID 24632271

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)o1
InChIInChI=1S/C21H19N3O3/c1-15-10-11-19(27-15)12-13-20(25)22-17-8-5-9-18(14-17)24-21(26)23-16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)(H2,23,24,26)/b13-12+
InChIKeyBCPXFSGIMSWUOR-OUKQBFOZSA-N
MW361.40 g/mol
LogP4.88
Rot. Bonds5

About (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide (PubChem CID 24632271) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
PubChem CID24632271
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)o1
InChIInChI=1S/C21H19N3O3/c1-15-10-11-19(27-15)12-13-20(25)22-17-8-5-9-18(14-17)24-21(26)23-16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)(H2,23,24,26)/b13-12+
InChIKeyBCPXFSGIMSWUOR-OUKQBFOZSA-N
XLogP4.88
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
CID 76870592
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 50846758
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
(E)-N-[(4-anilinophenyl)carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6171188

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide (CID 24632271) is (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide?
The InChIKey is BCPXFSGIMSWUOR-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15-10-11-19(27-15)12-13-20(25)22-17-8-5-9-18(14-17)24-21(26)23-16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)(H2,23,24,26)/b13-12+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide has a molecular weight of 361.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 24632271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).