2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C15H16N2O2S — CID 63613534

IUPAC2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(C(N)=S)cc2)o1
InChIInChI=1S/C15H16N2O2S/c1-10-2-7-13(19-10)9-17-14(18)8-11-3-5-12(6-4-11)15(16)20/h2-7H,8-9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyDBYJTRBRHQTMRO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 63613534) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID63613534
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(C(N)=S)cc2)o1
InChIInChI=1S/C15H16N2O2S/c1-10-2-7-13(19-10)9-17-14(18)8-11-3-5-12(6-4-11)15(16)20/h2-7H,8-9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyDBYJTRBRHQTMRO-UHFFFAOYSA-N
XLogP2.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 77001198
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 43526308
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 63613033
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62525022
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
2-(4-carbamothioylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 63611673

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 63613534) is 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2ccc(C(N)=S)cc2)o1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is DBYJTRBRHQTMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-2-7-13(19-10)9-17-14(18)8-11-3-5-12(6-4-11)15(16)20/h2-7H,8-9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 288.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 63613534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).