N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide

C15H16N2O2S — CID 65152789

IUPACN-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(C(N)=S)cc2)c1C
InChIInChI=1S/C15H16N2O2S/c1-8-9(2)19-10(3)13(8)15(18)17-12-6-4-11(5-7-12)14(16)20/h4-7H,1-3H3,(H2,16,20)(H,17,18)
InChIKeyIRWFJWXPCWWEMO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.09
Rot. Bonds3

About N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide

N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65152789) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65152789
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(C(N)=S)cc2)c1C
InChIInChI=1S/C15H16N2O2S/c1-8-9(2)19-10(3)13(8)15(18)17-12-6-4-11(5-7-12)14(16)20/h4-7H,1-3H3,(H2,16,20)(H,17,18)
InChIKeyIRWFJWXPCWWEMO-UHFFFAOYSA-N
XLogP3.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.09
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

2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
CID 26720131
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141
2,4,5-trimethyl-N-(4-propylphenyl)furan-3-carboxamide
CID 18098041
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(4-carbamothioylphenyl)-5-chlorofuran-2-carboxamide
CID 106684857
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 62058076
N-[(3-carbamothioylphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65153334
N-(2,3-dihydro-1H-indol-5-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 65153310
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 65152789) is N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(C(N)=S)cc2)c1C.
What is the InChIKey of N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is IRWFJWXPCWWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-8-9(2)19-10(3)13(8)15(18)17-12-6-4-11(5-7-12)14(16)20/h4-7H,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).