N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide

C15H15ClN2O2S — CID 107808440

IUPACN-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(C(N)=S)cc2Cl)c1C
InChIInChI=1S/C15H15ClN2O2S/c1-7-8(2)20-9(3)13(7)15(19)18-12-5-4-10(14(17)21)6-11(12)16/h4-6H,1-3H3,(H2,17,21)(H,18,19)
InChIKeyMPDWNFAMGGPKHY-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.74
Rot. Bonds3

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

N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 107808440) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID107808440
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(C(N)=S)cc2Cl)c1C
InChIInChI=1S/C15H15ClN2O2S/c1-7-8(2)20-9(3)13(7)15(19)18-12-5-4-10(14(17)21)6-11(12)16/h4-6H,1-3H3,(H2,17,21)(H,18,19)
InChIKeyMPDWNFAMGGPKHY-UHFFFAOYSA-N
XLogP3.74
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.74
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

N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65152789
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151528
N-[(3-carbamothioylphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65153334
N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107808560
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 107808440) is N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(C(N)=S)cc2Cl)c1C.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is MPDWNFAMGGPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-7-8(2)20-9(3)13(7)15(19)18-12-5-4-10(14(17)21)6-11(12)16/h4-6H,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 107808440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).