3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide

C18H22N2O4S — CID 75269019

IUPAC3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(2)20(3)25(22,23)17-9-6-15(7-10-17)13-19-18(21)11-8-16-5-4-12-24-16/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyLQNPBNSYBCIHBO-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.64
Rot. Bonds7

About 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide

3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide (PubChem CID 75269019) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide
PubChem CID75269019
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(2)20(3)25(22,23)17-9-6-15(7-10-17)13-19-18(21)11-8-16-5-4-12-24-16/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyLQNPBNSYBCIHBO-UHFFFAOYSA-N
XLogP2.64
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.64
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

3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111356307
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 9193821
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 47731867

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide (CID 75269019) is 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide?
The InChIKey is LQNPBNSYBCIHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(2)20(3)25(22,23)17-9-6-15(7-10-17)13-19-18(21)11-8-16-5-4-12-24-16/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide?
3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide has a molecular weight of 362.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 75269019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).