N-(4-carbamothioylphenyl)furan-3-carboxamide

C12H10N2O2S — CID 24704520

IUPACN-(4-carbamothioylphenyl)furan-3-carboxamide
SMILESNC(=S)c1ccc(NC(=O)c2ccoc2)cc1
InChIInChI=1S/C12H10N2O2S/c13-11(17)8-1-3-10(4-2-8)14-12(15)9-5-6-16-7-9/h1-7H,(H2,13,17)(H,14,15)
InChIKeyOUIKIESPQZNJPU-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.17
Rot. Bonds3

About N-(4-carbamothioylphenyl)furan-3-carboxamide

N-(4-carbamothioylphenyl)furan-3-carboxamide (PubChem CID 24704520) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)furan-3-carboxamide
PubChem CID24704520
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-(4-carbamothioylphenyl)furan-3-carboxamide
SMILESNC(=S)c1ccc(NC(=O)c2ccoc2)cc1
InChIInChI=1S/C12H10N2O2S/c13-11(17)8-1-3-10(4-2-8)14-12(15)9-5-6-16-7-9/h1-7H,(H2,13,17)(H,14,15)
InChIKeyOUIKIESPQZNJPU-UHFFFAOYSA-N
XLogP2.17
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.17
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)-4-fluorobenzamide
CID 24710557
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
N-carbamoylfuran-3-carboxamide
CID 54444166
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
CID 106909959
N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide
CID 24531773
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-(4-carbamothioylphenyl)-5-chlorofuran-2-carboxamide
CID 106684857
N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide
CID 40644802
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65152789

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)furan-3-carboxamide?
The IUPAC name of N-(4-carbamothioylphenyl)furan-3-carboxamide (CID 24704520) is N-(4-carbamothioylphenyl)furan-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)furan-3-carboxamide?
The canonical SMILES for N-(4-carbamothioylphenyl)furan-3-carboxamide is NC(=S)c1ccc(NC(=O)c2ccoc2)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)furan-3-carboxamide?
The InChIKey is OUIKIESPQZNJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c13-11(17)8-1-3-10(4-2-8)14-12(15)9-5-6-16-7-9/h1-7H,(H2,13,17)(H,14,15).
What are the key properties of N-(4-carbamothioylphenyl)furan-3-carboxamide?
N-(4-carbamothioylphenyl)furan-3-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)furan-3-carboxamide is sourced from PubChem (CID 24704520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).