N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide

C18H22N2O4S — CID 662362

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H22N2O4S/c1-19(2)15-7-5-14(6-8-15)12-20(16-9-11-25(22,23)13-16)18(21)17-4-3-10-24-17/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyWMALBCXDWQLYNG-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.18
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide (PubChem CID 662362) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
PubChem CID662362
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H22N2O4S/c1-19(2)15-7-5-14(6-8-15)12-20(16-9-11-25(22,23)13-16)18(21)17-4-3-10-24-17/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyWMALBCXDWQLYNG-UHFFFAOYSA-N
XLogP2.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide 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

Benzyl furanyl fentanyl
CID 42853213
Furan-2-carboxylic acid [3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-phenyl-amide
CID 13653720
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
[2-(4-Methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 2430426
5-[[4-(Dimethylamino)phenyl]methylidene]-3-(2-furanylmethyl)-2-sulfanylidene-4-thiazolidinone
CID 330810
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078985
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 118079032
Furan-2-carboxylic acid [({phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-p-tolyl-carbamoyl)-methyl]-amide
CID 648688
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-4-ethoxybenzamide
CID 663306
N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 975983
N-{2-[(2-furylmethyl)thio]ethyl}-4-[methyl(methylsulfonyl)amino]benzamide
CID 1728994

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide (CID 662362) is N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide is CN(C)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The InChIKey is WMALBCXDWQLYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-19(2)15-7-5-14(6-8-15)12-20(16-9-11-25(22,23)13-16)18(21)17-4-3-10-24-17/h3-8,10,16H,9,11-13H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 662362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).