N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

C19H17N3O3S — CID 1340468

IUPACN-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H17N3O3S/c1-2-17(23)20-13-7-5-8-14(11-13)21-19(26)22-18(24)16-10-12-6-3-4-9-15(12)25-16/h3-11H,2H2,1H3,(H,20,23)(H2,21,22,24,26)
InChIKeyYDGUIQLHQXZEGN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.91
Rot. Bonds4

About N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (PubChem CID 1340468) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
PubChem CID1340468
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H17N3O3S/c1-2-17(23)20-13-7-5-8-14(11-13)21-19(26)22-18(24)16-10-12-6-3-4-9-15(12)25-16/h3-11H,2H2,1H3,(H,20,23)(H2,21,22,24,26)
InChIKeyYDGUIQLHQXZEGN-UHFFFAOYSA-N
XLogP3.91
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107
Benzofuran-2-carboxylic acid (4-amino-2-methoxy-phenyl)-amide
CID 675397
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
N-(2-methylphenyl)-1-benzofuran-2-carboxamide
CID 725660
N-phenyl-1-benzofuran-2-carboxamide
CID 725692
Methyl 2-[(1-benzofuran-2-ylcarbonyl)amino]benzoate
CID 678887
N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 725661

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CID 1340468) is N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The InChIKey is YDGUIQLHQXZEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-2-17(23)20-13-7-5-8-14(11-13)21-19(26)22-18(24)16-10-12-6-3-4-9-15(12)25-16/h3-11H,2H2,1H3,(H,20,23)(H2,21,22,24,26).
What are the key properties of N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1340468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).