4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C15H16N2O2S — CID 43519484

IUPAC4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C(N)=S)cc2)o1
InChIInChI=1S/C15H16N2O2S/c1-10-3-8-13(19-10)9-17(2)15(18)12-6-4-11(5-7-12)14(16)20/h3-8H,9H2,1-2H3,(H2,16,20)
InChIKeyCGFNTSMXOAFITN-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.49
Rot. Bonds4

About 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 43519484) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID43519484
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C(N)=S)cc2)o1
InChIInChI=1S/C15H16N2O2S/c1-10-3-8-13(19-10)9-17(2)15(18)12-6-4-11(5-7-12)14(16)20/h3-8H,9H2,1-2H3,(H2,16,20)
InChIKeyCGFNTSMXOAFITN-UHFFFAOYSA-N
XLogP2.49
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 43526308
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63613534
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 43519484) is 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(C(N)=S)cc2)o1.
What is the InChIKey of 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is CGFNTSMXOAFITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-3-8-13(19-10)9-17(2)15(18)12-6-4-11(5-7-12)14(16)20/h3-8H,9H2,1-2H3,(H2,16,20).
What are the key properties of 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 288.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 43519484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).