(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

C19H21NO5S — CID 6049421

IUPAC(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CN(C(=O)/C=C/c2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21NO5S/c1-24-17-6-4-15(5-7-17)13-20(16-10-12-26(22,23)14-16)19(21)9-8-18-3-2-11-25-18/h2-9,11,16H,10,12-14H2,1H3/b9-8+
InChIKeyCNOJCFXTCYLZJM-CMDGGOBGSA-N
MW375.45 g/mol
LogP2.52
Rot. Bonds6

About (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 6049421) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID6049421
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CN(C(=O)/C=C/c2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21NO5S/c1-24-17-6-4-15(5-7-17)13-20(16-10-12-26(22,23)14-16)19(21)9-8-18-3-2-11-25-18/h2-9,11,16H,10,12-14H2,1H3/b9-8+
InChIKeyCNOJCFXTCYLZJM-CMDGGOBGSA-N
XLogP2.52
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide 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

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-(furan-2-yl)prop-2-enamide
CID 5975659
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 664684
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 665645
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 665764
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 2990516
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 3000149
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 3548679
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide
CID 3639548
N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3743404
N-(1,1-dioxidotetrahydro-3-thienyl)-3-methoxy-N-(4-methoxybenzyl)benzamide
CID 3753170

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (CID 6049421) is (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide is COc1ccc(CN(C(=O)/C=C/c2ccco2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is CNOJCFXTCYLZJM-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-24-17-6-4-15(5-7-17)13-20(16-10-12-26(22,23)14-16)19(21)9-8-18-3-2-11-25-18/h2-9,11,16H,10,12-14H2,1H3/b9-8+.
What are the key properties of (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 375.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 6049421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).