(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide

C19H24N2O4S — CID 92671335

IUPAC(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(2)15-5-7-16(8-6-15)20-19(22)12-11-17-9-10-18(25-17)13-21(3)26(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/b12-11+
InChIKeyWDDPSHOMUPTVJM-VAWYXSNFSA-N
MW376.48 g/mol
LogP3.45
Rot. Bonds7

About (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide

(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 92671335) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID92671335
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(2)15-5-7-16(8-6-15)20-19(22)12-11-17-9-10-18(25-17)13-21(3)26(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/b12-11+
InChIKeyWDDPSHOMUPTVJM-VAWYXSNFSA-N
XLogP3.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1,3-benzodioxol-5-yl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671378
(E)-N-(2,5-dichlorophenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671353
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906879
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671416
(E)-N-(5-chloro-2-methoxyphenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671381
[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
CID 133225233
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4014656

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide (CID 92671335) is (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1.
What is the InChIKey of (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is WDDPSHOMUPTVJM-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(2)15-5-7-16(8-6-15)20-19(22)12-11-17-9-10-18(25-17)13-21(3)26(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/b12-11+.
What are the key properties of (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 376.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 92671335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).